2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide

C21H23N3O3 — CID 109095376

IUPAC2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C21H23N3O3/c1-14(25)15-7-5-10-17(13-15)23-21(27)19-12-6-11-18(24-19)20(26)22-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,22,26)(H,23,27)
InChIKeyDRHRDGMLRQFZAT-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.60
Rot. Bonds5

About 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide

2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide (PubChem CID 109095376) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
PubChem CID109095376
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)n2)c1
InChIInChI=1S/C21H23N3O3/c1-14(25)15-7-5-10-17(13-15)23-21(27)19-12-6-11-18(24-19)20(26)22-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,22,26)(H,23,27)
InChIKeyDRHRDGMLRQFZAT-UHFFFAOYSA-N
XLogP3.60
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-acetylphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095061
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
5-(3-acetylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183026
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332978
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109095382

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide (CID 109095376) is 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC3CCCCC3)n2)c1.
What is the InChIKey of 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide?
The InChIKey is DRHRDGMLRQFZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(25)15-7-5-10-17(13-15)23-21(27)19-12-6-11-18(24-19)20(26)22-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide?
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109095376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).