6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C21H27N3O2 — CID 60513495

IUPAC6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2CN2CCC(C)CC2)c(=O)[nH]1
InChIInChI=1S/C21H27N3O2/c1-15-9-11-24(12-10-15)14-18-6-4-3-5-17(18)13-22-20(25)19-8-7-16(2)23-21(19)26/h3-8,15H,9-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMIFSDTQZYUIDJH-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.85
Rot. Bonds5

About 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 60513495) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID60513495
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2CN2CCC(C)CC2)c(=O)[nH]1
InChIInChI=1S/C21H27N3O2/c1-15-9-11-24(12-10-15)14-18-6-4-3-5-17(18)13-22-20(25)19-8-7-16(2)23-21(19)26/h3-8,15H,9-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMIFSDTQZYUIDJH-UHFFFAOYSA-N
XLogP2.85
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 55715573
2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 46477048
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772793
(4S)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092560
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
1-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008847
2-(2-methoxyethoxy)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 60566725
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 60513495) is 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccccc2CN2CCC(C)CC2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MIFSDTQZYUIDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-9-11-24(12-10-15)14-18-6-4-3-5-17(18)13-22-20(25)19-8-7-16(2)23-21(19)26/h3-8,15H,9-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60513495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).