7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

C142H152F4N32O12 — CID 159535698

IUPAC7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESC/N=C(\C=CN)Nc1cc2nc(C(=O)N[C@@H](c3ccc(C)c(F)c3)c3cnn(C)c3)ccc2cn1.C/N=C(\C=CN)Nc1cc2nc(C(=O)N[C@H](CO)c3ccc(C)c(F)c3)ccc2cn1.CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(C)c(F)c1.Cc1ccc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)cc1F.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)cc1.Cc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c2cnn(C)c2)cc1
InChIInChI=1S/C26H28N6O2.C25H25FN8O.C24H27FN4O2.C23H26N4O3.C22H23FN6O2.C22H23FN4O2/c1-17-3-5-18(6-4-17)25(20-15-28-32(2)16-20)31-26(33)22-8-7-19-14-27-24(13-23(19)30-22)29-21-9-11-34-12-10-21;1-15-4-5-16(10-19(15)26)24(18-13-30-34(3)14-18)33-25(35)20-7-6-17-12-29-23(11-21(17)31-20)32-22(28-2)8-9-27;1-3-20(16-5-4-15(2)19(25)12-16)29-24(30)21-7-6-17-14-26-23(13-22(17)28-21)27-18-8-10-31-11-9-18;1-15-2-4-16(5-3-15)21(14-28)27-23(29)19-7-6-17-13-24-22(12-20(17)26-19)25-18-8-10-30-11-9-18;1-13-3-4-14(9-16(13)23)19(12-30)28-22(31)17-6-5-15-11-26-21(10-18(15)27-17)29-20(25-2)7-8-24;1-14-2-3-15(10-18(14)23)12-25-22(28)19-5-4-16-13-24-21(11-20(16)27-19)26-17-6-8-29-9-7-17/h3-8,13-16,21,25H,9-12H2,1-2H3,(H,27,29)(H,31,33);4-14,24H,27H2,1-3H3,(H,33,35)(H,28,29,32);4-7,12-14,18,20H,3,8-11H2,1-2H3,(H,26,27)(H,29,30);2-7,12-13,18,21,28H,8-11,14H2,1H3,(H,24,25)(H,27,29);3-11,19,30H,12,24H2,1-2H3,(H,28,31)(H,25,26,29);2-5,10-11,13,17H,6-9,12H2,1H3,(H,24,26)(H,25,28)/t25-;24-;20-;21-;19-;/m00111./s1
InChIKeyJOSCHFXEEMIADN-DQJYTRNNSA-N
MW2574.98 g/mol
LogP20.62
Rot. Bonds35

About 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide

7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (PubChem CID 159535698) has the molecular formula C142H152F4N32O12 and a molecular weight of 2574.98 g/mol. Its IUPAC name is 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
PubChem CID159535698
Molecular FormulaC142H152F4N32O12
Molecular Weight2574.98 g/mol
Exact Mass2573.22
IUPAC Name7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
SMILESC/N=C(\C=CN)Nc1cc2nc(C(=O)N[C@@H](c3ccc(C)c(F)c3)c3cnn(C)c3)ccc2cn1.C/N=C(\C=CN)Nc1cc2nc(C(=O)N[C@H](CO)c3ccc(C)c(F)c3)ccc2cn1.CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(C)c(F)c1.Cc1ccc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)cc1F.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)cc1.Cc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c2cnn(C)c2)cc1
InChIInChI=1S/C26H28N6O2.C25H25FN8O.C24H27FN4O2.C23H26N4O3.C22H23FN6O2.C22H23FN4O2/c1-17-3-5-18(6-4-17)25(20-15-28-32(2)16-20)31-26(33)22-8-7-19-14-27-24(13-23(19)30-22)29-21-9-11-34-12-10-21;1-15-4-5-16(10-19(15)26)24(18-13-30-34(3)14-18)33-25(35)20-7-6-17-12-29-23(11-21(17)31-20)32-22(28-2)8-9-27;1-3-20(16-5-4-15(2)19(25)12-16)29-24(30)21-7-6-17-14-26-23(13-22(17)28-21)27-18-8-10-31-11-9-18;1-15-2-4-16(5-3-15)21(14-28)27-23(29)19-7-6-17-13-24-22(12-20(17)26-19)25-18-8-10-30-11-9-18;1-13-3-4-14(9-16(13)23)19(12-30)28-22(31)17-6-5-15-11-26-21(10-18(15)27-17)29-20(25-2)7-8-24;1-14-2-3-15(10-18(14)23)12-25-22(28)19-5-4-16-13-24-21(11-20(16)27-19)26-17-6-8-29-9-7-17/h3-8,13-16,21,25H,9-12H2,1-2H3,(H,27,29)(H,31,33);4-14,24H,27H2,1-3H3,(H,33,35)(H,28,29,32);4-7,12-14,18,20H,3,8-11H2,1-2H3,(H,26,27)(H,29,30);2-7,12-13,18,21,28H,8-11,14H2,1H3,(H,24,25)(H,27,29);3-11,19,30H,12,24H2,1-2H3,(H,28,31)(H,25,26,29);2-5,10-11,13,17H,6-9,12H2,1H3,(H,24,26)(H,25,28)/t25-;24-;20-;21-;19-;/m00111./s1
InChIKeyJOSCHFXEEMIADN-DQJYTRNNSA-N
XLogP20.62
TPSA591.24 Ų
H-Bond Donors16
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002574.98
LogP ≤ 520.62
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
CID 73334773
N-[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
CID 73335933
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
CID 121474041
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S,4R)-2-(hydroxymethyl)oxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide
CID 121474044
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(2S)-1-hydroxypropan-2-yl]amino]-1,6-naphthyridine-2-carboxamide
CID 121474045
N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
CID 121474047
N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridine-2-carboxamide
CID 121474049
N-[(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(2-oxabicyclo[2.2.1]heptan-5-ylamino)-1,6-naphthyridine-2-carboxamide
CID 121474050
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide
CID 121474061
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3S)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide
CID 121474062
N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-[[(3R)-oxolan-3-yl]amino]-1,6-naphthyridine-2-carboxamide
CID 121474071
N-[(S)-(3-fluoro-4-methylphenyl)-(2-methylpyrazol-3-yl)methyl]-7-[[(3R,4S)-3-fluorooxan-4-yl]amino]-1,6-naphthyridine-2-carboxamide
CID 121474079

Frequently Asked Questions

What is the IUPAC name of 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide (CID 159535698) is 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is C/N=C(\C=CN)Nc1cc2nc(C(=O)N[C@@H](c3ccc(C)c(F)c3)c3cnn(C)c3)ccc2cn1.C/N=C(\C=CN)Nc1cc2nc(C(=O)N[C@H](CO)c3ccc(C)c(F)c3)ccc2cn1.CC[C@@H](NC(=O)c1ccc2cnc(NC3CCOCC3)cc2n1)c1ccc(C)c(F)c1.Cc1ccc(CNC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)cc1F.Cc1ccc([C@@H](CO)NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)cc1.Cc1ccc([C@H](NC(=O)c2ccc3cnc(NC4CCOCC4)cc3n2)c2cnn(C)c2)cc1.
What is the InChIKey of 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
The InChIKey is JOSCHFXEEMIADN-DQJYTRNNSA-N. The full InChI is InChI=1S/C26H28N6O2.C25H25FN8O.C24H27FN4O2.C23H26N4O3.C22H23FN6O2.C22H23FN4O2/c1-17-3-5-18(6-4-17)25(20-15-28-32(2)16-20)31-26(33)22-8-7-19-14-27-24(13-23(19)30-22)29-21-9-11-34-12-10-21;1-15-4-5-16(10-19(15)26)24(18-13-30-34(3)14-18)33-25(35)20-7-6-17-12-29-23(11-21(17)31-20)32-22(28-2)8-9-27;1-3-20(16-5-4-15(2)19(25)12-16)29-24(30)21-7-6-17-14-26-23(13-22(17)28-21)27-18-8-10-31-11-9-18;1-15-2-4-16(5-3-15)21(14-28)27-23(29)19-7-6-17-13-24-22(12-20(17)26-19)25-18-8-10-30-11-9-18;1-13-3-4-14(9-16(13)23)19(12-30)28-22(31)17-6-5-15-11-26-21(10-18(15)27-17)29-20(25-2)7-8-24;1-14-2-3-15(10-18(14)23)12-25-22(28)19-5-4-16-13-24-21(11-20(16)27-19)26-17-6-8-29-9-7-17/h3-8,13-16,21,25H,9-12H2,1-2H3,(H,27,29)(H,31,33);4-14,24H,27H2,1-3H3,(H,33,35)(H,28,29,32);4-7,12-14,18,20H,3,8-11H2,1-2H3,(H,26,27)(H,29,30);2-7,12-13,18,21,28H,8-11,14H2,1H3,(H,24,25)(H,27,29);3-11,19,30H,12,24H2,1-2H3,(H,28,31)(H,25,26,29);2-5,10-11,13,17H,6-9,12H2,1H3,(H,24,26)(H,25,28)/t25-;24-;20-;21-;19-;/m00111./s1.
What are the key properties of 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide?
7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide has a molecular weight of 2574.98 g/mol, XLogP of 20.62, 35 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]-1,6-naphthyridine-2-carboxamide;7-[[C-(2-aminoethenyl)-N-methylcarbonimidoyl]amino]-N-[(S)-(3-fluoro-4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-1,6-naphthyridine-2-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1R)-1-(3-fluoro-4-methylphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(1S)-2-hydroxy-1-(4-methylphenyl)ethyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide;N-[(S)-(4-methylphenyl)-(1-methylpyrazol-4-yl)methyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 159535698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).