3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide

C13H13N3O4 — CID 69002184

IUPAC3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccnc(=O)[nH]2)cc1OC
InChIInChI=1S/C13H13N3O4/c1-19-9-4-3-8(7-10(9)20-2)12(17)15-11-5-6-14-13(18)16-11/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyDPBYKTMRLYEFPT-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.04
Rot. Bonds4

About 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide

3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide (PubChem CID 69002184) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
PubChem CID69002184
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccnc(=O)[nH]2)cc1OC
InChIInChI=1S/C13H13N3O4/c1-19-9-4-3-8(7-10(9)20-2)12(17)15-11-5-6-14-13(18)16-11/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyDPBYKTMRLYEFPT-UHFFFAOYSA-N
XLogP1.04
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 47083217
4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide
CID 108807771
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
N-(3,5-difluorophenyl)-3,4-dimethoxybenzamide
CID 7336959
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide (CID 69002184) is 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide is COc1ccc(C(=O)Nc2ccnc(=O)[nH]2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide?
The InChIKey is DPBYKTMRLYEFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-19-9-4-3-8(7-10(9)20-2)12(17)15-11-5-6-14-13(18)16-11/h3-7H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide?
3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide has a molecular weight of 275.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide is sourced from PubChem (CID 69002184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).