2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide

C20H18N4O2 — CID 100753605

IUPAC2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H18N4O2/c1-13-17(12-22-18(23-13)11-14-5-3-2-4-6-14)20(26)24-16-9-7-15(8-10-16)19(21)25/h2-10,12H,11H2,1H3,(H2,21,25)(H,24,26)
InChIKeyJSILGMOISMDFHA-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.73
Rot. Bonds5

About 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide

2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 100753605) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID100753605
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H18N4O2/c1-13-17(12-22-18(23-13)11-14-5-3-2-4-6-14)20(26)24-16-9-7-15(8-10-16)19(21)25/h2-10,12H,11H2,1H3,(H2,21,25)(H,24,26)
InChIKeyJSILGMOISMDFHA-UHFFFAOYSA-N
XLogP2.73
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide
CID 100753620
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
N-(4-chlorophenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080138
N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080148
3-N-(2-benzylpyrimidin-4-yl)-4-fluorobenzene-1,3-dicarboxamide
CID 166321402
4-amino-6-methyl-N-phenylpyridine-3-carboxamide
CID 81236063
N-(4-carbamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17497709
N-(4-carbamoylphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943115
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
N-(4-carbamoylphenyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 60527460
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
N-(4-carbamoylphenyl)-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 110382871

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide (CID 100753605) is 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide is Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is JSILGMOISMDFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-17(12-22-18(23-13)11-14-5-3-2-4-6-14)20(26)24-16-9-7-15(8-10-16)19(21)25/h2-10,12H,11H2,1H3,(H2,21,25)(H,24,26).
What are the key properties of 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide?
2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-carbamoylphenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 100753605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).