6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

C86H120Cl3F2N15O6S — CID 157052151

IUPAC6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCCCCCCN(C(=O)Nc1ccc(F)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(CC2CCCC2)C(=O)Nc2ccc(F)cc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CC2)CC1
InChIInChI=1S/C30H41ClFN5O2.C30H43ClFN5O2.C26H36ClN5O2S/c1-20-18-27(31)34-22(3)28(20)29(38)33-15-12-21(2)36-16-13-26(14-17-36)37(19-23-6-4-5-7-23)30(39)35-25-10-8-24(32)9-11-25;1-5-6-7-8-17-37(30(39)35-25-11-9-24(32)10-12-25)26-14-18-36(19-15-26)22(3)13-16-33-29(38)28-21(2)20-27(31)34-23(28)4;1-17-14-23(27)29-19(3)24(17)25(33)28-10-6-18(2)31-11-7-22(8-12-31)32(15-20-9-13-35-16-20)26(34)30-21-4-5-21/h8-11,18,21,23,26H,4-7,12-17,19H2,1-3H3,(H,33,38)(H,35,39);9-12,20,22,26H,5-8,13-19H2,1-4H3,(H,33,38)(H,35,39);9,13-14,16,18,21-22H,4-8,10-12,15H2,1-3H3,(H,28,33)(H,30,34)/t21-;22-;18-/m111/s1
InChIKeyAAIIDCZIMBBGND-UDVBJVQPSA-N
MW1636.43 g/mol
LogP17.53
Rot. Bonds30

About 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide

6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (PubChem CID 157052151) has the molecular formula C86H120Cl3F2N15O6S and a molecular weight of 1636.43 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
PubChem CID157052151
Molecular FormulaC86H120Cl3F2N15O6S
Molecular Weight1636.43 g/mol
Exact Mass1633.83
IUPAC Name6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
SMILESCCCCCCN(C(=O)Nc1ccc(F)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(CC2CCCC2)C(=O)Nc2ccc(F)cc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CC2)CC1
InChIInChI=1S/C30H41ClFN5O2.C30H43ClFN5O2.C26H36ClN5O2S/c1-20-18-27(31)34-22(3)28(20)29(38)33-15-12-21(2)36-16-13-26(14-17-36)37(19-23-6-4-5-7-23)30(39)35-25-10-8-24(32)9-11-25;1-5-6-7-8-17-37(30(39)35-25-11-9-24(32)10-12-25)26-14-18-36(19-15-26)22(3)13-16-33-29(38)28-21(2)20-27(31)34-23(28)4;1-17-14-23(27)29-19(3)24(17)25(33)28-10-6-18(2)31-11-7-22(8-12-31)32(15-20-9-13-35-16-20)26(34)30-21-4-5-21/h8-11,18,21,23,26H,4-7,12-17,19H2,1-3H3,(H,33,38)(H,35,39);9-12,20,22,26H,5-8,13-19H2,1-4H3,(H,33,38)(H,35,39);9,13-14,16,18,21-22H,4-8,10-12,15H2,1-3H3,(H,28,33)(H,30,34)/t21-;22-;18-/m111/s1
InChIKeyAAIIDCZIMBBGND-UDVBJVQPSA-N
XLogP17.53
TPSA232.71 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001636.43
LogP ≤ 517.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

6-chloro-N-[3-[4-(3-cyclohexyl-2-oxo-5-thiophen-3-ylimidazolidin-1-yl)piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 59458247
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[methylcarbamoyl(3-thienylmethyl)amino]-1-piperidyl]butyl]pyridine-3-carboxamide
CID 62706110
6-chloro-N-[(3R)-3-[4-[dimethylcarbamoyl(3-thienylmethyl)amino]-1-piperidyl]butyl]-2,4-dimethyl-pyridine-3-carboxamide
CID 15942352
2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 15942494
2,6-dichloro-4-methyl-N-[3-[4-[thiophen-3-ylmethyl-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamoyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 73201958
6-chloro-N-[(3R)-3-[4-[formyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 161646998
N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide
CID 15941663
(E)-3-[[1-[1-(6-chloro-2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]-3-(cyclopropylamino)prop-2-enenitrile
CID 25025488
6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 59458118
6-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 59458133
6-chloro-2,4-dimethyl-N-[3-[4-[phenylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 59458186
6-chloro-N-[3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 72290693

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide (CID 157052151) is 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is CCCCCCN(C(=O)Nc1ccc(F)cc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(Cl)nc2C)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(CC2CCCC2)C(=O)Nc2ccc(F)cc2)CC1.Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)NC2CC2)CC1.
What is the InChIKey of 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is AAIIDCZIMBBGND-UDVBJVQPSA-N. The full InChI is InChI=1S/C30H41ClFN5O2.C30H43ClFN5O2.C26H36ClN5O2S/c1-20-18-27(31)34-22(3)28(20)29(38)33-15-12-21(2)36-16-13-26(14-17-36)37(19-23-6-4-5-7-23)30(39)35-25-10-8-24(32)9-11-25;1-5-6-7-8-17-37(30(39)35-25-11-9-24(32)10-12-25)26-14-18-36(19-15-26)22(3)13-16-33-29(38)28-21(2)20-27(31)34-23(28)4;1-17-14-23(27)29-19(3)24(17)25(33)28-10-6-18(2)31-11-7-22(8-12-31)32(15-20-9-13-35-16-20)26(34)30-21-4-5-21/h8-11,18,21,23,26H,4-7,12-17,19H2,1-3H3,(H,33,38)(H,35,39);9-12,20,22,26H,5-8,13-19H2,1-4H3,(H,33,38)(H,35,39);9,13-14,16,18,21-22H,4-8,10-12,15H2,1-3H3,(H,28,33)(H,30,34)/t21-;22-;18-/m111/s1.
What are the key properties of 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide?
6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 1636.43 g/mol, XLogP of 17.53, 30 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-3-[4-[cyclopentylmethyl-[(4-fluorophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[cyclopropylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[(3R)-3-[4-[(4-fluorophenyl)carbamoyl-hexylamino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 157052151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).