5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide

C18H20N4O3 — CID 135323654

IUPAC5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cccnc2)c1=O
InChIInChI=1S/C18H20N4O3/c1-19-17(24)15-8-13(16(23)21-14-5-2-6-14)11-22(18(15)25)10-12-4-3-7-20-9-12/h3-4,7-9,11,14H,2,5-6,10H2,1H3,(H,19,24)(H,21,23)
InChIKeyJPKQWGJWWWXQCQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.93
Rot. Bonds5

About 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide

5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 135323654) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID135323654
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cccnc2)c1=O
InChIInChI=1S/C18H20N4O3/c1-19-17(24)15-8-13(16(23)21-14-5-2-6-14)11-22(18(15)25)10-12-4-3-7-20-9-12/h3-4,7-9,11,14H,2,5-6,10H2,1H3,(H,19,24)(H,21,23)
InChIKeyJPKQWGJWWWXQCQ-UHFFFAOYSA-N
XLogP0.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide (CID 135323654) is 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cccnc2)c1=O.
What is the InChIKey of 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is JPKQWGJWWWXQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-19-17(24)15-8-13(16(23)21-14-5-2-6-14)11-22(18(15)25)10-12-4-3-7-20-9-12/h3-4,7-9,11,14H,2,5-6,10H2,1H3,(H,19,24)(H,21,23).
What are the key properties of 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 340.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclobutyl-3-N-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 135323654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).