3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide

C11H10N4O3 — CID 56766070

IUPAC3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)Nc2ccncc2)c1=O
InChIInChI=1S/C11H10N4O3/c1-15-10(17)8(6-13-11(15)18)9(16)14-7-2-4-12-5-3-7/h2-6H,1H3,(H,13,18)(H,12,14,16)
InChIKeyUAHZHYKPLRLKGL-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.28
Rot. Bonds2

About 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide

3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide (PubChem CID 56766070) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide
PubChem CID56766070
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)Nc2ccncc2)c1=O
InChIInChI=1S/C11H10N4O3/c1-15-10(17)8(6-13-11(15)18)9(16)14-7-2-4-12-5-3-7/h2-6H,1H3,(H,13,18)(H,12,14,16)
InChIKeyUAHZHYKPLRLKGL-UHFFFAOYSA-N
XLogP-0.28
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide (CID 56766070) is 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)Nc2ccncc2)c1=O.
What is the InChIKey of 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is UAHZHYKPLRLKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-15-10(17)8(6-13-11(15)18)9(16)14-7-2-4-12-5-3-7/h2-6H,1H3,(H,13,18)(H,12,14,16).
What are the key properties of 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide?
3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 246.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-dioxo-N-pyridin-4-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56766070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).