1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide

C20H25N3O3 — CID 135341827

IUPAC1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCC(C)C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H25N3O3/c1-14(2)9-10-22-18(24)16-11-17(19(25)21-3)20(26)23(13-16)12-15-7-5-4-6-8-15/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJEQGAHKBIFRHMQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.03
Rot. Bonds7

About 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide

1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide (PubChem CID 135341827) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide
PubChem CID135341827
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCC(C)C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H25N3O3/c1-14(2)9-10-22-18(24)16-11-17(19(25)21-3)20(26)23(13-16)12-15-7-5-4-6-8-15/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJEQGAHKBIFRHMQ-UHFFFAOYSA-N
XLogP2.03
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide (CID 135341827) is 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NCCC(C)C)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is JEQGAHKBIFRHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)9-10-22-18(24)16-11-17(19(25)21-3)20(26)23(13-16)12-15-7-5-4-6-8-15/h4-8,11,13-14H,9-10,12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide?
1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 135341827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).