N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide

C24H24F2N4O2 — CID 135862903

IUPACN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide
SMILESC[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3c(F)cc(O)cc3F)n2)C1
InChIInChI=1S/C24H24F2N4O2/c1-13-7-14(9-15(27)8-13)17-5-6-28-12-22(17)30-24(32)21-4-2-3-20(29-21)23-18(25)10-16(31)11-19(23)26/h2-6,10-15,31H,7-9,27H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1
InChIKeyDOFPZEPZLPYGKA-ZNMIVQPWSA-N
MW438.48 g/mol
LogP4.61
Rot. Bonds4

About N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide (PubChem CID 135862903) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide
PubChem CID135862903
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide
SMILESC[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3c(F)cc(O)cc3F)n2)C1
InChIInChI=1S/C24H24F2N4O2/c1-13-7-14(9-15(27)8-13)17-5-6-28-12-22(17)30-24(32)21-4-2-3-20(29-21)23-18(25)10-16(31)11-19(23)26/h2-6,10-15,31H,7-9,27H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1
InChIKeyDOFPZEPZLPYGKA-ZNMIVQPWSA-N
XLogP4.61
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Lgh-447
CID 44814409
N-[4-[(1R,3R,4R,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(4-hydroxyoxan-4-yl)phenyl]-5-fluoropyridine-2-carboxamide
CID 91937577
N-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46178380
6-(2,6-Difluorophenyl)-5-fluoro-n-(4-((1r,3s,5s)-3-hydroxy-5-methylcyclohexyl)pyridin-3-yl)picolinamide
CID 46178939
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide
CID 122531750
4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylcarbamoyl]-phenyl}-pyridine-2-carboxylic acid amide
CID 135404951
4-hydroxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]benzamide
CID 89642036
N-[4-[(1R,3R,5S)-3-amino-5-(trifluoromethyl)cyclohexyl]pyridin-3-yl]-6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
CID 46178529
N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 46178612
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropyridine-2-carboxamide
CID 46178613

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide (CID 135862903) is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide is C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3c(F)cc(O)cc3F)n2)C1.
What is the InChIKey of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide?
The InChIKey is DOFPZEPZLPYGKA-ZNMIVQPWSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-13-7-14(9-15(27)8-13)17-5-6-28-12-22(17)30-24(32)21-4-2-3-20(29-21)23-18(25)10-16(31)11-19(23)26/h2-6,10-15,31H,7-9,27H2,1H3,(H,30,32)/t13-,14+,15-/m0/s1.
What are the key properties of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide?
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-hydroxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 135862903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).