6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide

C26H22F3N3O3 — CID 143951661

IUPAC6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESC=C1CC(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)ccc(OC)c3F)n2)CC(=C)C1O
InChIInChI=1S/C26H22F3N3O3/c1-13-10-15(11-14(2)25(13)33)16-8-9-30-12-20(16)32-26(34)19-6-4-18(28)24(31-19)22-17(27)5-7-21(35-3)23(22)29/h4-9,12,15,25,33H,1-2,10-11H2,3H3,(H,32,34)
InChIKeyJFVGTBPDHJZZCW-UHFFFAOYSA-N
MW481.47 g/mol
LogP5.17
Rot. Bonds5

About 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide

6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 143951661) has the molecular formula C26H22F3N3O3 and a molecular weight of 481.47 g/mol. Its IUPAC name is 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID143951661
Molecular FormulaC26H22F3N3O3
Molecular Weight481.47 g/mol
Exact Mass481.16
IUPAC Name6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESC=C1CC(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)ccc(OC)c3F)n2)CC(=C)C1O
InChIInChI=1S/C26H22F3N3O3/c1-13-10-15(11-14(2)25(13)33)16-8-9-30-12-20(16)32-26(34)19-6-4-18(28)24(31-19)22-17(27)5-7-21(35-3)23(22)29/h4-9,12,15,25,33H,1-2,10-11H2,3H3,(H,32,34)
InChIKeyJFVGTBPDHJZZCW-UHFFFAOYSA-N
XLogP5.17
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-amino-4,5-dimethylcyclohexyl)-3-pyridinyl]-6-[2,6-difluoro-3-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 123330359
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 70909330
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-[(1S,3S,4R,5R)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179668
N-[4-[(3R,5S)-3,5-diaminocyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179581
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-aminocyclohexyl)-3-pyridinyl]-6-(2,6-difluoro-3-prop-1-en-2-ylphenyl)-5-fluoropyridine-2-carboxamide
CID 91386223
N-[4-(3,5-dimethylcyclohexyl)-3-pyridinyl]-6-(4-ethoxy-2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 123759602
N-[4-[(1S,3S,5R)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68556022
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 70656288
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
CID 126970584

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide (CID 143951661) is 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide is C=C1CC(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)ccc(OC)c3F)n2)CC(=C)C1O.
What is the InChIKey of 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is JFVGTBPDHJZZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O3/c1-13-10-15(11-14(2)25(13)33)16-8-9-30-12-20(16)32-26(34)19-6-4-18(28)24(31-19)22-17(27)5-7-21(35-3)23(22)29/h4-9,12,15,25,33H,1-2,10-11H2,3H3,(H,32,34).
What are the key properties of 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide?
6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 481.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-3-methoxyphenyl)-5-fluoro-N-[4-(4-hydroxy-3,5-dimethylidenecyclohexyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 143951661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).