6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide

C27H28F3N3O2 — CID 123707594

IUPAC6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)C1C(C)CC(c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(F)c(F)c3)n2)CC1O
InChIInChI=1S/C27H28F3N3O2/c1-14(2)25-15(3)10-17(12-24(25)34)18-8-9-31-13-23(18)33-27(35)22-7-6-20(29)26(32-22)16-4-5-19(28)21(30)11-16/h4-9,11,13-15,17,24-25,34H,10,12H2,1-3H3,(H,33,35)
InChIKeyGVQWBWIYXHXQQJ-UHFFFAOYSA-N
MW483.53 g/mol
LogP5.96
Rot. Bonds5

About 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide

6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 123707594) has the molecular formula C27H28F3N3O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID123707594
Molecular FormulaC27H28F3N3O2
Molecular Weight483.53 g/mol
Exact Mass483.21
IUPAC Name6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)C1C(C)CC(c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(F)c(F)c3)n2)CC1O
InChIInChI=1S/C27H28F3N3O2/c1-14(2)25-15(3)10-17(12-24(25)34)18-8-9-31-13-23(18)33-27(35)22-7-6-20(29)26(32-22)16-4-5-19(28)21(30)11-16/h4-9,11,13-15,17,24-25,34H,10,12H2,1-3H3,(H,33,35)
InChIKeyGVQWBWIYXHXQQJ-UHFFFAOYSA-N
XLogP5.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
2-[4-[6-[[4-(3-amino-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-3-fluoro-5-hydroxyphenyl]-2-methylpropanoic acid
CID 137069157
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
N-[4-[(1R,3R,4S,5S)-3-amino-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 143951540
N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 123759602
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
5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 123377087
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-[(1S)-1-hydroxyethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 70654904
N-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 70654809
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-pyridazin-4-ylphenyl)-5-fluoropyridine-2-carboxamide
CID 70654773
6-(2,6-difluoro-4-formylphenyl)-5-fluoro-N-[4-[(5S)-3-iodo-5-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 88951120

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide (CID 123707594) is 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide is CC(C)C1C(C)CC(c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(F)c(F)c3)n2)CC1O.
What is the InChIKey of 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is GVQWBWIYXHXQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O2/c1-14(2)25-15(3)10-17(12-24(25)34)18-8-9-31-13-23(18)33-27(35)22-7-6-20(29)26(32-22)16-4-5-19(28)21(30)11-16/h4-9,11,13-15,17,24-25,34H,10,12H2,1-3H3,(H,33,35).
What are the key properties of 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide?
6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-5-fluoro-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 123707594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).