5-anilino-N-cyclohexylpyridine-3-carboxamide

C18H21N3O — CID 109226711

IUPAC5-anilino-N-cyclohexylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O/c22-18(21-16-9-5-2-6-10-16)14-11-17(13-19-12-14)20-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,20H,2,5-6,9-10H2,(H,21,22)
InChIKeyWJVMHULUPBOAIW-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.89
Rot. Bonds4

About 5-anilino-N-cyclohexylpyridine-3-carboxamide

5-anilino-N-cyclohexylpyridine-3-carboxamide (PubChem CID 109226711) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-anilino-N-cyclohexylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-anilino-N-cyclohexylpyridine-3-carboxamide
PubChem CID109226711
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name5-anilino-N-cyclohexylpyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O/c22-18(21-16-9-5-2-6-10-16)14-11-17(13-19-12-14)20-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,20H,2,5-6,9-10H2,(H,21,22)
InChIKeyWJVMHULUPBOAIW-UHFFFAOYSA-N
XLogP3.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
CID 109239507
5-N-cyclohexyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109103063
5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109226017
N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796
5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109225984
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
N-cyclopentyl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109226052
N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide
CID 109239565
5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide
CID 109226786
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-cyclohexylpyridine-3-carboxamide?
The IUPAC name of 5-anilino-N-cyclohexylpyridine-3-carboxamide (CID 109226711) is 5-anilino-N-cyclohexylpyridine-3-carboxamide.
What is the SMILES notation for 5-anilino-N-cyclohexylpyridine-3-carboxamide?
The canonical SMILES for 5-anilino-N-cyclohexylpyridine-3-carboxamide is O=C(NC1CCCCC1)c1cncc(Nc2ccccc2)c1.
What is the InChIKey of 5-anilino-N-cyclohexylpyridine-3-carboxamide?
The InChIKey is WJVMHULUPBOAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(21-16-9-5-2-6-10-16)14-11-17(13-19-12-14)20-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,16,20H,2,5-6,9-10H2,(H,21,22).
What are the key properties of 5-anilino-N-cyclohexylpyridine-3-carboxamide?
5-anilino-N-cyclohexylpyridine-3-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-cyclohexylpyridine-3-carboxamide is sourced from PubChem (CID 109226711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).