N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide

C25H26F2N4O — CID 67890626

IUPACN-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3CC[C@H](C)[C@H](N)C3)n2)c1F
InChIInChI=1S/C25H26F2N4O/c1-14-6-8-16(12-19(14)28)17-10-11-29-13-22(17)31-25(32)21-5-3-4-20(30-21)23-18(26)9-7-15(2)24(23)27/h3-5,7,9-11,13-14,16,19H,6,8,12,28H2,1-2H3,(H,31,32)/t14-,16+,19+/m0/s1
InChIKeyAZZIRTGUSGFUPI-ZSZQSSIHSA-N
MW436.51 g/mol
LogP5.21
Rot. Bonds4

About N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide

N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide (PubChem CID 67890626) has the molecular formula C25H26F2N4O and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
PubChem CID67890626
Molecular FormulaC25H26F2N4O
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3CC[C@H](C)[C@H](N)C3)n2)c1F
InChIInChI=1S/C25H26F2N4O/c1-14-6-8-16(12-19(14)28)17-10-11-29-13-22(17)31-25(32)21-5-3-4-20(30-21)23-18(26)9-7-15(2)24(23)27/h3-5,7,9-11,13-14,16,19H,6,8,12,28H2,1-2H3,(H,31,32)/t14-,16+,19+/m0/s1
InChIKeyAZZIRTGUSGFUPI-ZSZQSSIHSA-N
XLogP5.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide
CID 89091551
N-[4-[(1R,3R,4S,5S)-3-amino-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 70907941
N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 71110410
N-[4-[(1R,3R,4S,5S)-3-amino-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 143951540
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 70909330
N-[4-[(1S,3S,4R,5R)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179668
[(1R,2R,4R,6S)-2-amino-4-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-6-methylcyclohexyl] methanesulfonate
CID 72551165
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)-5-methylpyridine-2-carboxamide
CID 123514253
N-[4-[(1S,3S,5R)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68556022
N-[4-[(3R,5S)-3,5-diaminocyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179581
3-[(1S,2S,4S,6R)-2-amino-4-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-6-methylcyclohexyl]oxypropanoic acid
CID 72550943
N-[4-[(1R,3R,4S,5S)-3-amino-4-azido-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 91937561

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide (CID 67890626) is N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide is Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3CC[C@H](C)[C@H](N)C3)n2)c1F.
What is the InChIKey of N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is AZZIRTGUSGFUPI-ZSZQSSIHSA-N. The full InChI is InChI=1S/C25H26F2N4O/c1-14-6-8-16(12-19(14)28)17-10-11-29-13-22(17)31-25(32)21-5-3-4-20(30-21)23-18(26)9-7-15(2)24(23)27/h3-5,7,9-11,13-14,16,19H,6,8,12,28H2,1-2H3,(H,31,32)/t14-,16+,19+/m0/s1.
What are the key properties of N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide?
N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 67890626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).