1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide

C20H23N3O4 — CID 135341834

IUPAC1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCOCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H23N3O4/c1-21-19(25)17-11-15(18(24)22-16-7-9-27-10-8-16)13-23(20(17)26)12-14-5-3-2-4-6-14/h2-6,11,13,16H,7-10,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyDDIGQJWPTRKUMY-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.16
Rot. Bonds5

About 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide

1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide (PubChem CID 135341834) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide
PubChem CID135341834
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCOCC2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H23N3O4/c1-21-19(25)17-11-15(18(24)22-16-7-9-27-10-8-16)13-23(20(17)26)12-14-5-3-2-4-6-14/h2-6,11,13,16H,7-10,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyDDIGQJWPTRKUMY-UHFFFAOYSA-N
XLogP1.16
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide (CID 135341834) is 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCOCC2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is DDIGQJWPTRKUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-21-19(25)17-11-15(18(24)22-16-7-9-27-10-8-16)13-23(20(17)26)12-14-5-3-2-4-6-14/h2-6,11,13,16H,7-10,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide?
1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 135341834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).