N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide

C25H24ClF2N3O2 — CID 89091551

IUPACN-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide
SMILESCCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3CCC(O)C(Cl)C3)n2)c1F
InChIInChI=1S/C25H24ClF2N3O2/c1-2-14-6-8-18(27)23(24(14)28)19-4-3-5-20(30-19)25(33)31-21-13-29-11-10-16(21)15-7-9-22(32)17(26)12-15/h3-6,8,10-11,13,15,17,22,32H,2,7,9,12H2,1H3,(H,31,33)/t15-,17?,22?/m0/s1
InChIKeyBRYJXSLCDAXSHL-JUTLFCHVSA-N
MW471.94 g/mol
LogP5.47
Rot. Bonds5

About N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide

N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide (PubChem CID 89091551) has the molecular formula C25H24ClF2N3O2 and a molecular weight of 471.94 g/mol. Its IUPAC name is N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide
PubChem CID89091551
Molecular FormulaC25H24ClF2N3O2
Molecular Weight471.94 g/mol
Exact Mass471.15
IUPAC NameN-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide
SMILESCCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3CCC(O)C(Cl)C3)n2)c1F
InChIInChI=1S/C25H24ClF2N3O2/c1-2-14-6-8-18(27)23(24(14)28)19-4-3-5-20(30-19)25(33)31-21-13-29-11-10-16(21)15-7-9-22(32)17(26)12-15/h3-6,8,10-11,13,15,17,22,32H,2,7,9,12H2,1H3,(H,31,33)/t15-,17?,22?/m0/s1
InChIKeyBRYJXSLCDAXSHL-JUTLFCHVSA-N
XLogP5.47
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.94
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(1R,3R,4S)-3-amino-4-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 67890626
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 70909330
N-[4-[(3S,5R)-3,5-diamino-4-hydroxycyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 71110410
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)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 123589289
N-[4-[(3R,5S)-3,5-diaminocyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179581
N-[4-(3-amino-5-propylpiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-6-methylphenyl)pyridine-2-carboxamide;ethane;methanol
CID 143951592
N-[4-[(1R,3R,5S)-3-amino-5-(trifluoromethyl)cyclohexyl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 46178859
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-[(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
6-(2,6-difluorophenyl)-N-[4-(6-ethyl-4,5-dihydroxyoxan-2-yl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 77241059

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide (CID 89091551) is N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide is CCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3CCC(O)C(Cl)C3)n2)c1F.
What is the InChIKey of N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is BRYJXSLCDAXSHL-JUTLFCHVSA-N. The full InChI is InChI=1S/C25H24ClF2N3O2/c1-2-14-6-8-18(27)23(24(14)28)19-4-3-5-20(30-19)25(33)31-21-13-29-11-10-16(21)15-7-9-22(32)17(26)12-15/h3-6,8,10-11,13,15,17,22,32H,2,7,9,12H2,1H3,(H,31,33)/t15-,17?,22?/m0/s1.
What are the key properties of N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide?
N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 471.94 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-3-chloro-4-hydroxycyclohexyl]-3-pyridinyl]-6-(3-ethyl-2,6-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 89091551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).