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

C17H14N4O3 — CID 166322105

IUPAC2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N4O3/c22-15(19-10-12-5-4-8-18-9-12)14-11-20-17(24)21(16(14)23)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,19,22)(H,20,24)
InChIKeyUDHLMNCNDBIMIZ-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.85
Rot. Bonds4

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

2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 166322105) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID166322105
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N4O3/c22-15(19-10-12-5-4-8-18-9-12)14-11-20-17(24)21(16(14)23)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,19,22)(H,20,24)
InChIKeyUDHLMNCNDBIMIZ-UHFFFAOYSA-N
XLogP0.85
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025213
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123424448
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-benzylpyridine-3-carboxamide chloride
CID 21204170
3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 24538472
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 166322105) is 2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(NCc1cccnc1)c1c[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is UDHLMNCNDBIMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-15(19-10-12-5-4-8-18-9-12)14-11-20-17(24)21(16(14)23)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,19,22)(H,20,24).
What are the key properties of 2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide?
2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-phenyl-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 166322105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).