2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide

C23H29N3O2 — CID 46044678

IUPAC2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)C)c(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C23H29N3O2/c1-16(2)15-24-22(27)20-10-9-17(3)25-21(20)18-11-13-26(14-12-18)23(28)19-7-5-4-6-8-19/h4-10,16,18H,11-15H2,1-3H3,(H,24,27)
InChIKeyZLGLRBHQHFMEFR-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.80
Rot. Bonds5

About 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide

2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 46044678) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID46044678
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)C)c(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C23H29N3O2/c1-16(2)15-24-22(27)20-10-9-17(3)25-21(20)18-11-13-26(14-12-18)23(28)19-7-5-4-6-8-19/h4-10,16,18H,11-15H2,1-3H3,(H,24,27)
InChIKeyZLGLRBHQHFMEFR-UHFFFAOYSA-N
XLogP3.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42867125
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
2-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069044
6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068495
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
6-methyl-N-(3-methylbutyl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42852034
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957
6-methyl-N-(2-methylpropyl)-2-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 46044811
2-[1-(benzylcarbamoyl)piperidin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069124
N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852096

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide (CID 46044678) is 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)C)c(C2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is ZLGLRBHQHFMEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(2)15-24-22(27)20-10-9-17(3)25-21(20)18-11-13-26(14-12-18)23(28)19-7-5-4-6-8-19/h4-10,16,18H,11-15H2,1-3H3,(H,24,27).
What are the key properties of 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide?
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 46044678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).