1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide

C22H26N2O4 — CID 157088108

IUPAC1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCC2CCOC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H26N2O4/c1-23-21(26)19-12-18(20(25)9-5-8-17-10-11-28-15-17)14-24(22(19)27)13-16-6-3-2-4-7-16/h2-4,6-7,12,14,17H,5,8-11,13,15H2,1H3,(H,23,26)
InChIKeyAEIFUCOQDXHVGC-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.65
Rot. Bonds8

About 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide

1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide (PubChem CID 157088108) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
PubChem CID157088108
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCC2CCOC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H26N2O4/c1-23-21(26)19-12-18(20(25)9-5-8-17-10-11-28-15-17)14-24(22(19)27)13-16-6-3-2-4-7-16/h2-4,6-7,12,14,17H,5,8-11,13,15H2,1H3,(H,23,26)
InChIKeyAEIFUCOQDXHVGC-UHFFFAOYSA-N
XLogP2.65
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-N-methyl-5-N-[2-(oxan-4-yl)ethyl]-2-oxopyridine-3,5-dicarboxamide
CID 126739313
1-[(2-fluorophenyl)methyl]-5-[2-[(1S,2R)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 146719801
1-[(2-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-methoxycyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 146719802
1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
CID 147074594
1-[(2-fluoro-3-methylphenyl)methyl]-5-[2-[2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 147426566
1-benzyl-5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 147664755
5-[2-(2-ethoxycyclopropyl)acetyl]-1-[(4-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 147861197
1-[(2-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2S)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
CID 148580439
5-[2-[(1R,2S)-2-ethoxycyclopropyl]acetyl]-1-[(2-fluoro-3-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 148737867
5-[2-(2-ethoxycyclopropyl)acetyl]-1-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 152950732
1-benzyl-5-[5-(4-fluoropiperidin-4-yl)pentanoyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 153014166
1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
CID 157334852

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide (CID 157088108) is 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCCC2CCOC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide?
The InChIKey is AEIFUCOQDXHVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23-21(26)19-12-18(20(25)9-5-8-17-10-11-28-15-17)14-24(22(19)27)13-16-6-3-2-4-7-16/h2-4,6-7,12,14,17H,5,8-11,13,15H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide?
1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide is sourced from PubChem (CID 157088108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).