1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide

C13H13N3O2 — CID 103610894

IUPAC1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide
SMILESCc1cccnc1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H13N3O2/c1-9-4-3-6-14-12(9)15-13(18)10-5-7-16(2)11(17)8-10/h3-8H,1-2H3,(H,14,15,18)
InChIKeyYMDYAUZCRBIBFP-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.34
Rot. Bonds2

About 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide

1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide (PubChem CID 103610894) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide
PubChem CID103610894
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide
SMILESCc1cccnc1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H13N3O2/c1-9-4-3-6-14-12(9)15-13(18)10-5-7-16(2)11(17)8-10/h3-8H,1-2H3,(H,14,15,18)
InChIKeyYMDYAUZCRBIBFP-UHFFFAOYSA-N
XLogP1.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide (CID 103610894) is 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide is Cc1cccnc1NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide?
The InChIKey is YMDYAUZCRBIBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-4-3-6-14-12(9)15-13(18)10-5-7-16(2)11(17)8-10/h3-8H,1-2H3,(H,14,15,18).
What are the key properties of 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide?
1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-2-pyridinyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103610894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).