N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide

C25H26F2N4O2 — CID 135862889

IUPACN-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide
SMILESCC1(C)C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1
InChIInChI=1S/C25H26F2N4O2/c1-25(2)11-14(9-15(28)12-25)17-7-8-29-13-22(17)31-24(33)21-6-5-19(26)23(30-21)18-4-3-16(32)10-20(18)27/h3-8,10,13-15,32H,9,11-12,28H2,1-2H3,(H,31,33)/t14-,15+/m0/s1
InChIKeyIDPLHVZCGVXEDH-LSDHHAIUSA-N
MW452.51 g/mol
LogP5.00
Rot. Bonds4

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

N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide (PubChem CID 135862889) has the molecular formula C25H26F2N4O2 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide
PubChem CID135862889
Molecular FormulaC25H26F2N4O2
Molecular Weight452.51 g/mol
Exact Mass452.20
IUPAC NameN-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide
SMILESCC1(C)C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1
InChIInChI=1S/C25H26F2N4O2/c1-25(2)11-14(9-15(28)12-25)17-7-8-29-13-22(17)31-24(33)21-6-5-19(26)23(30-21)18-4-3-16(32)10-20(18)27/h3-8,10,13-15,32H,9,11-12,28H2,1-2H3,(H,31,33)/t14-,15+/m0/s1
InChIKeyIDPLHVZCGVXEDH-LSDHHAIUSA-N
XLogP5.00
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
6-(2,6-difluorophenyl)-5-fluoro-N-(4-(3-hydroxy-5-methylcyclohex-1-enyl)pyridin-3-yl)picolinamide
CID 46178775
N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluoro-3-hydroxyphenyl)-5-fluoropicolinamide
CID 46179015
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179100
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-hydroxyphenyl)pyridine-2-carboxamide
CID 46179299

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide (CID 135862889) is N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide is CC1(C)C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1.
What is the InChIKey of N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide?
The InChIKey is IDPLHVZCGVXEDH-LSDHHAIUSA-N. The full InChI is InChI=1S/C25H26F2N4O2/c1-25(2)11-14(9-15(28)12-25)17-7-8-29-13-22(17)31-24(33)21-6-5-19(26)23(30-21)18-4-3-16(32)10-20(18)27/h3-8,10,13-15,32H,9,11-12,28H2,1-2H3,(H,31,33)/t14-,15+/m0/s1.
What are the key properties of N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide?
N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 5.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluoro-4-hydroxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 135862889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).