3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide

C15H14N4O2 — CID 122302755

IUPAC3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
SMILESCOc1nc(C)c(NC(=O)c2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C15H14N4O2/c1-9-13(10(2)18-15(17-9)21-3)19-14(20)12-6-4-5-11(7-12)8-16/h4-7H,1-3H3,(H,19,20)
InChIKeyFTNMWONSQQGUPI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.23
Rot. Bonds3

About 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide

3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide (PubChem CID 122302755) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
PubChem CID122302755
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
SMILESCOc1nc(C)c(NC(=O)c2cccc(C#N)c2)c(C)n1
InChIInChI=1S/C15H14N4O2/c1-9-13(10(2)18-15(17-9)21-3)19-14(20)12-6-4-5-11(7-12)8-16/h4-7H,1-3H3,(H,19,20)
InChIKeyFTNMWONSQQGUPI-UHFFFAOYSA-N
XLogP2.23
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
3-(4-fluorophenoxy)-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302849
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122
N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide
CID 43548048
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 103600288
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
3-cyano-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 24709345
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
The IUPAC name of 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide (CID 122302755) is 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide is COc1nc(C)c(NC(=O)c2cccc(C#N)c2)c(C)n1.
What is the InChIKey of 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
The InChIKey is FTNMWONSQQGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-13(10(2)18-15(17-9)21-3)19-14(20)12-6-4-5-11(7-12)8-16/h4-7H,1-3H3,(H,19,20).
What are the key properties of 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide?
3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide has a molecular weight of 282.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 122302755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).