1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide

C18H21N3O3 — CID 135341830

IUPAC1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC(C)C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H21N3O3/c1-12(2)20-16(22)14-9-15(17(23)19-3)18(24)21(11-14)10-13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyAHAQFZBVHBOHFW-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.39
Rot. Bonds5

About 1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide

1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 135341830) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID135341830
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC(C)C)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H21N3O3/c1-12(2)20-16(22)14-9-15(17(23)19-3)18(24)21(11-14)10-13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyAHAQFZBVHBOHFW-UHFFFAOYSA-N
XLogP1.39
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.39
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-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 135341830) is 1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC(C)C)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is AHAQFZBVHBOHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(2)20-16(22)14-9-15(17(23)19-3)18(24)21(11-14)10-13-7-5-4-6-8-13/h4-9,11-12H,10H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide?
1-benzyl-3-N-methyl-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.39, 5 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-2-oxo-5-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 135341830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).