5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide

C19H21N3O3 — CID 126676006

IUPAC5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc(C)c2)c1=O
InChIInChI=1S/C19H21N3O3/c1-12-4-3-5-13(8-12)10-22-11-14(17(23)21-15-6-7-15)9-16(19(22)25)18(24)20-2/h3-5,8-9,11,15H,6-7,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyQZPPNCSVXWKFEV-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.46
Rot. Bonds5

About 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide

5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126676006) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
PubChem CID126676006
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc(C)c2)c1=O
InChIInChI=1S/C19H21N3O3/c1-12-4-3-5-13(8-12)10-22-11-14(17(23)21-15-6-7-15)9-16(19(22)25)18(24)20-2/h3-5,8-9,11,15H,6-7,10H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyQZPPNCSVXWKFEV-UHFFFAOYSA-N
XLogP1.46
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide (CID 126676006) is 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2cccc(C)c2)c1=O.
What is the InChIKey of 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is QZPPNCSVXWKFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-4-3-5-13(8-12)10-22-11-14(17(23)21-15-6-7-15)9-16(19(22)25)18(24)20-2/h3-5,8-9,11,15H,6-7,10H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide?
5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126676006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).