1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide

C22H26N2O4 — CID 160654627

IUPAC1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCC2CCOCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H26N2O4/c1-23-21(26)19-13-18(20(25)8-7-16-9-11-28-12-10-16)15-24(22(19)27)14-17-5-3-2-4-6-17/h2-6,13,15-16H,7-12,14H2,1H3,(H,23,26)
InChIKeyRKWPGTBXLVTHBB-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.65
Rot. Bonds7

About 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide

1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide (PubChem CID 160654627) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
PubChem CID160654627
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCC2CCOCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C22H26N2O4/c1-23-21(26)19-13-18(20(25)8-7-16-9-11-28-12-10-16)15-24(22(19)27)14-17-5-3-2-4-6-17/h2-6,13,15-16H,7-12,14H2,1H3,(H,23,26)
InChIKeyRKWPGTBXLVTHBB-UHFFFAOYSA-N
XLogP2.65
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide (CID 160654627) is 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCC2CCOCC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide?
The InChIKey is RKWPGTBXLVTHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-23-21(26)19-13-18(20(25)8-7-16-9-11-28-12-10-16)15-24(22(19)27)14-17-5-3-2-4-6-17/h2-6,13,15-16H,7-12,14H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide?
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 160654627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).