1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

C13H14N4O3 — CID 84557714

IUPAC1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCc2ccccn2)c(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-8-10(12(19)17(2)13(16)20)11(18)15-7-9-5-3-4-6-14-9/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeySCBUUNGWNROPTE-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.59
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 84557714) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID84557714
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCc2ccccn2)c(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-8-10(12(19)17(2)13(16)20)11(18)15-7-9-5-3-4-6-14-9/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKeySCBUUNGWNROPTE-UHFFFAOYSA-N
XLogP-0.59
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 154582530
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)purine-7-carboxamide
CID 134517917
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 742942
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (CID 84557714) is 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is Cn1cc(C(=O)NCc2ccccn2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is SCBUUNGWNROPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-16-8-10(12(19)17(2)13(16)20)11(18)15-7-9-5-3-4-6-14-9/h3-6,8H,7H2,1-2H3,(H,15,18).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 84557714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).