N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide

C143H200ClFN26O17S5 — CID 158964849

IUPACN-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
SMILESCCS(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)CCc2cccc(C#N)c2)cc(N(C)CC2CC2C)n1.CCS(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)CF)cc(N(C)CC2CC2C)n1.CCS(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)COC)cc(N(C)CC2CC2C)n1.CCS(=O)(=O)N(C)c1cc(C(=O)N[C@H](Cc2ccccc2)[C@@H](N)CCc2cccc(Cl)c2)cc(N(C)CC2CC2C)n1.COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(C)S(=O)(=O)C(C)C)c1
InChIInChI=1S/C33H42N6O3S.C32H42ClN5O3S.C27H41N5O4S.C26H39N5O4S.C25H36FN5O3S/c1-5-43(41,42)39(4)32-20-27(19-31(37-32)38(3)22-28-16-23(28)2)33(40)36-30(18-24-10-7-6-8-11-24)29(35)15-14-25-12-9-13-26(17-25)21-34;1-5-42(40,41)38(4)31-20-25(19-30(36-31)37(3)21-26-16-22(26)2)32(39)35-29(18-23-10-7-6-8-11-23)28(34)15-14-24-12-9-13-27(33)17-24;1-18(2)37(34,35)32(5)26-15-21(14-25(30-26)31(4)16-22-12-19(22)3)27(33)29-24(23(28)17-36-6)13-20-10-8-7-9-11-20;1-6-36(33,34)31(4)25-15-20(14-24(29-25)30(3)16-21-12-18(21)2)26(32)28-23(22(27)17-35-5)13-19-10-8-7-9-11-19;1-5-35(33,34)31(4)24-14-19(13-23(29-24)30(3)16-20-11-17(20)2)25(32)28-22(21(27)15-26)12-18-9-7-6-8-10-18/h6-13,17,19-20,23,28-30H,5,14-16,18,22,35H2,1-4H3,(H,36,40);6-13,17,19-20,22,26,28-29H,5,14-16,18,21,34H2,1-4H3,(H,35,39);7-11,14-15,18-19,22-24H,12-13,16-17,28H2,1-6H3,(H,29,33);7-11,14-15,18,21-23H,6,12-13,16-17,27H2,1-5H3,(H,28,32);6-10,13-14,17,20-22H,5,11-12,15-16,27H2,1-4H3,(H,28,32)/t23?,28?,29-,30-;22?,26?,28-,29+;19-,22+,23-,24-;18?,21?,22-,23-;17?,20?,21-,22-/m00000/s1
InChIKeyJNBMCEVOWJAIAL-AAUUIJNTSA-N
MW2770.12 g/mol
LogP16.58
Rot. Bonds66

About N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide

N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide (PubChem CID 158964849) has the molecular formula C143H200ClFN26O17S5 and a molecular weight of 2770.12 g/mol. Its IUPAC name is N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
PubChem CID158964849
Molecular FormulaC143H200ClFN26O17S5
Molecular Weight2770.12 g/mol
Exact Mass2767.39
IUPAC NameN-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
SMILESCCS(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)CCc2cccc(C#N)c2)cc(N(C)CC2CC2C)n1.CCS(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)CF)cc(N(C)CC2CC2C)n1.CCS(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)COC)cc(N(C)CC2CC2C)n1.CCS(=O)(=O)N(C)c1cc(C(=O)N[C@H](Cc2ccccc2)[C@@H](N)CCc2cccc(Cl)c2)cc(N(C)CC2CC2C)n1.COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(C)S(=O)(=O)C(C)C)c1
InChIInChI=1S/C33H42N6O3S.C32H42ClN5O3S.C27H41N5O4S.C26H39N5O4S.C25H36FN5O3S/c1-5-43(41,42)39(4)32-20-27(19-31(37-32)38(3)22-28-16-23(28)2)33(40)36-30(18-24-10-7-6-8-11-24)29(35)15-14-25-12-9-13-26(17-25)21-34;1-5-42(40,41)38(4)31-20-25(19-30(36-31)37(3)21-26-16-22(26)2)32(39)35-29(18-23-10-7-6-8-11-23)28(34)15-14-24-12-9-13-27(33)17-24;1-18(2)37(34,35)32(5)26-15-21(14-25(30-26)31(4)16-22-12-19(22)3)27(33)29-24(23(28)17-36-6)13-20-10-8-7-9-11-20;1-6-36(33,34)31(4)25-15-20(14-24(29-25)30(3)16-21-12-18(21)2)26(32)28-23(22(27)17-35-5)13-19-10-8-7-9-11-19;1-5-35(33,34)31(4)24-14-19(13-23(29-24)30(3)16-20-11-17(20)2)25(32)28-22(21(27)15-26)12-18-9-7-6-8-10-18/h6-13,17,19-20,23,28-30H,5,14-16,18,22,35H2,1-4H3,(H,36,40);6-13,17,19-20,22,26,28-29H,5,14-16,18,21,34H2,1-4H3,(H,35,39);7-11,14-15,18-19,22-24H,12-13,16-17,28H2,1-6H3,(H,29,33);7-11,14-15,18,21-23H,6,12-13,16-17,27H2,1-5H3,(H,28,32);6-10,13-14,17,20-22H,5,11-12,15-16,27H2,1-4H3,(H,28,32)/t23?,28?,29-,30-;22?,26?,28-,29+;19-,22+,23-,24-;18?,21?,22-,23-;17?,20?,21-,22-/m00000/s1
InChIKeyJNBMCEVOWJAIAL-AAUUIJNTSA-N
XLogP16.58
TPSA585.40 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds66
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002770.12
LogP ≤ 516.58
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Analyze N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methylsulfonyl(propyl)amino]pyridine-4-carboxamide
CID 23647391
[4-[[(2S)-3-amino-4-methoxy-1-phenylbutan-2-yl]carbamoyl]-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl] methanesulfonate
CID 90048292
N-[(2S,3R)-4-[(1-ethynylcyclohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methylamino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
CID 46927552
N-[4-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-pyridinyl]-N-methylethanesulfonamide
CID 11569577
[(2R)-2-methyl-1-[2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carbonyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 69250409
N-[(2S,3R)-4-(3-cyclopropylprop-2-ynylamino)-3-hydroxy-1-phenylbutan-2-yl]-2-[[(2S)-3-methylbutan-2-yl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
CID 46927553
N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-3-[(Z)-3,4-dimethylpent-1-enyl]-5-[methylsulfonyl(propyl)amino]benzamide
CID 89357080
N-[(2S)-4-[(3-tert-butylphenyl)methyl-methylamino]butan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methylamino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
CID 143972887
N-[(1R,2S)-1-hydroxy-1-[(2R)-4-oxopiperidin-2-yl]-3-phenylpropan-2-yl]-3-[(2-methylcyclopropyl)methoxy]-5-[methyl(methylsulfonyl)amino]benzamide
CID 58699994
diethyl 2-[2-(3-chlorophenyl)ethyl]propanedioate
CID 14711442
2-(butan-2-ylamino)-N-[(1S,2S)-1-[(3S)-3-fluoropyrrolidin-2-yl]-1-hydroxy-3-phenylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
CID 68817448
4-(3-chlorophenyl)-1-methoxybutan-2-amine
CID 62321131

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide (CID 158964849) is N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide is CCS(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)CCc2cccc(C#N)c2)cc(N(C)CC2CC2C)n1.CCS(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)CF)cc(N(C)CC2CC2C)n1.CCS(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](N)COC)cc(N(C)CC2CC2C)n1.CCS(=O)(=O)N(C)c1cc(C(=O)N[C@H](Cc2ccccc2)[C@@H](N)CCc2cccc(Cl)c2)cc(N(C)CC2CC2C)n1.COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(N(C)C[C@H]2C[C@@H]2C)nc(N(C)S(=O)(=O)C(C)C)c1.
What is the InChIKey of N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide?
The InChIKey is JNBMCEVOWJAIAL-AAUUIJNTSA-N. The full InChI is InChI=1S/C33H42N6O3S.C32H42ClN5O3S.C27H41N5O4S.C26H39N5O4S.C25H36FN5O3S/c1-5-43(41,42)39(4)32-20-27(19-31(37-32)38(3)22-28-16-23(28)2)33(40)36-30(18-24-10-7-6-8-11-24)29(35)15-14-25-12-9-13-26(17-25)21-34;1-5-42(40,41)38(4)31-20-25(19-30(36-31)37(3)21-26-16-22(26)2)32(39)35-29(18-23-10-7-6-8-11-23)28(34)15-14-24-12-9-13-27(33)17-24;1-18(2)37(34,35)32(5)26-15-21(14-25(30-26)31(4)16-22-12-19(22)3)27(33)29-24(23(28)17-36-6)13-20-10-8-7-9-11-20;1-6-36(33,34)31(4)25-15-20(14-24(29-25)30(3)16-21-12-18(21)2)26(32)28-23(22(27)17-35-5)13-19-10-8-7-9-11-19;1-5-35(33,34)31(4)24-14-19(13-23(29-24)30(3)16-20-11-17(20)2)25(32)28-22(21(27)15-26)12-18-9-7-6-8-10-18/h6-13,17,19-20,23,28-30H,5,14-16,18,22,35H2,1-4H3,(H,36,40);6-13,17,19-20,22,26,28-29H,5,14-16,18,21,34H2,1-4H3,(H,35,39);7-11,14-15,18-19,22-24H,12-13,16-17,28H2,1-6H3,(H,29,33);7-11,14-15,18,21-23H,6,12-13,16-17,27H2,1-5H3,(H,28,32);6-10,13-14,17,20-22H,5,11-12,15-16,27H2,1-4H3,(H,28,32)/t23?,28?,29-,30-;22?,26?,28-,29+;19-,22+,23-,24-;18?,21?,22-,23-;17?,20?,21-,22-/m00000/s1.
What are the key properties of N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide?
N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide has a molecular weight of 2770.12 g/mol, XLogP of 16.58, 66 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-amino-5-(3-chlorophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3S)-3-amino-5-(3-cyanophenyl)-1-phenylpentan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-fluoro-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[ethylsulfonyl(methyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxamide;N-[(2S,3R)-3-amino-4-methoxy-1-phenylbutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 158964849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).