3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide

C17H14N4O — CID 1477556

IUPAC3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccnc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H14N4O/c1-12-4-2-5-13(10-12)17(22)21-15-7-9-19-16(20-15)14-6-3-8-18-11-14/h2-11H,1H3,(H,19,20,21,22)
InChIKeyJNPMIEHQJCVZLJ-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.10
Rot. Bonds3

About 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide

3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide (PubChem CID 1477556) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide
PubChem CID1477556
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccnc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H14N4O/c1-12-4-2-5-13(10-12)17(22)21-15-7-9-19-16(20-15)14-6-3-8-18-11-14/h2-11H,1H3,(H,19,20,21,22)
InChIKeyJNPMIEHQJCVZLJ-UHFFFAOYSA-N
XLogP3.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide (CID 1477556) is 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide is Cc1cccc(C(=O)Nc2ccnc(-c3cccnc3)n2)c1.
What is the InChIKey of 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
The InChIKey is JNPMIEHQJCVZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-12-4-2-5-13(10-12)17(22)21-15-7-9-19-16(20-15)14-6-3-8-18-11-14/h2-11H,1H3,(H,19,20,21,22).
What are the key properties of 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide has a molecular weight of 290.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 1477556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).