4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

C21H26N2O3 — CID 172655551

IUPAC4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(CCc2ccccc2)c(=O)c1C(=O)NCC1CCOCC1
InChIInChI=1S/C21H26N2O3/c1-16-7-11-23(12-8-17-5-3-2-4-6-17)21(25)19(16)20(24)22-15-18-9-13-26-14-10-18/h2-7,11,18H,8-10,12-15H2,1H3,(H,22,24)
InChIKeyRNWOYCMJGKVWPD-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.56
Rot. Bonds6

About 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 172655551) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID172655551
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccn(CCc2ccccc2)c(=O)c1C(=O)NCC1CCOCC1
InChIInChI=1S/C21H26N2O3/c1-16-7-11-23(12-8-17-5-3-2-4-6-17)21(25)19(16)20(24)22-15-18-9-13-26-14-10-18/h2-7,11,18H,8-10,12-15H2,1H3,(H,22,24)
InChIKeyRNWOYCMJGKVWPD-UHFFFAOYSA-N
XLogP2.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;methyl 2-[(2R,5S)-1-methyl-5-[[[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]amino]methyl]pyrrolidin-2-yl]acetate
CID 172910035
4-methyl-2-oxo-N-(2-oxooxolan-3-yl)-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665459
4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665741
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238
4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
CID 172655374
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxamide
CID 172670662
N-(7-azaspiro[3.5]nonan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide;hydrochloride
CID 172912279
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 99871045
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 172661146
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172670938
methyl 2-[3-methyl-4-[4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonyl]-2-oxopiperazin-1-yl]acetate
CID 172658094
4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 170511886

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (CID 172655551) is 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is Cc1ccn(CCc2ccccc2)c(=O)c1C(=O)NCC1CCOCC1.
What is the InChIKey of 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is RNWOYCMJGKVWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-7-11-23(12-8-17-5-3-2-4-6-17)21(25)19(16)20(24)22-15-18-9-13-26-14-10-18/h2-7,11,18H,8-10,12-15H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-ylmethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172655551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).