N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

C21H23N3O3 — CID 109090418

IUPACN-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(C(=O)N3CCCC(C)C3)c2)cc1
InChIInChI=1S/C21H23N3O3/c1-14-4-3-11-24(13-14)21(27)19-12-17(9-10-22-19)20(26)23-18-7-5-16(6-8-18)15(2)25/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyWPZOCGHJBNKXDA-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.41
Rot. Bonds4

About N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109090418) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109090418
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(C(=O)N3CCCC(C)C3)c2)cc1
InChIInChI=1S/C21H23N3O3/c1-14-4-3-11-24(13-14)21(27)19-12-17(9-10-22-19)20(26)23-18-7-5-16(6-8-18)15(2)25/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyWPZOCGHJBNKXDA-UHFFFAOYSA-N
XLogP3.41
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090374
4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109090330
N-(2-fluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090390
2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109090445
N-(2,4-difluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090432
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084830
N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090441
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090343
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109090418) is N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2ccnc(C(=O)N3CCCC(C)C3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is WPZOCGHJBNKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-4-3-11-24(13-14)21(27)19-12-17(9-10-22-19)20(26)23-18-7-5-16(6-8-18)15(2)25/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).