2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide

C21H19N3O2 — CID 122263270

IUPAC2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCc2cc(C)ncn2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-7-9-16(10-8-14)20(25)18-5-3-4-6-19(18)21(26)22-12-17-11-15(2)23-13-24-17/h3-11,13H,12H2,1-2H3,(H,22,26)
InChIKeyPYFOZFXWLQDLAD-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.25
Rot. Bonds5

About 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide

2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide (PubChem CID 122263270) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
PubChem CID122263270
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NCc2cc(C)ncn2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-7-9-16(10-8-14)20(25)18-5-3-4-6-19(18)21(26)22-12-17-11-15(2)23-13-24-17/h3-11,13H,12H2,1-2H3,(H,22,26)
InChIKeyPYFOZFXWLQDLAD-UHFFFAOYSA-N
XLogP3.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
N-[(6-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122263272
N-[(6-methylpyrimidin-4-yl)methyl]-4-phenoxybenzamide
CID 122263471
N-(2-amino-2-methylpropyl)-2-(4-methylbenzoyl)benzamide
CID 119627671
2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263254
2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263317
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
2-(4-methylbenzoyl)-N-[[3-(sulfamoylamino)phenyl]methyl]benzamide
CID 39976343

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide (CID 122263270) is 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NCc2cc(C)ncn2)cc1.
What is the InChIKey of 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is PYFOZFXWLQDLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-7-9-16(10-8-14)20(25)18-5-3-4-6-19(18)21(26)22-12-17-11-15(2)23-13-24-17/h3-11,13H,12H2,1-2H3,(H,22,26).
What are the key properties of 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide?
2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylbenzoyl)-N-[(6-methylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 122263270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).