N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide

C20H18N4O2 — CID 96596105

IUPACN-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C20H18N4O2/c1-13-18(12-21-19(22-13)15-7-4-3-5-8-15)20(26)24-17-10-6-9-16(11-17)23-14(2)25/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyBCGMBLRSLQXDHK-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.66
Rot. Bonds4

About N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide

N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 96596105) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
PubChem CID96596105
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C20H18N4O2/c1-13-18(12-21-19(22-13)15-7-4-3-5-8-15)20(26)24-17-10-6-9-16(11-17)23-14(2)25/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyBCGMBLRSLQXDHK-UHFFFAOYSA-N
XLogP3.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 110864853
ethyl 4-[(4-methyl-2-phenylpyrimidine-5-carbonyl)amino]benzoate
CID 53080370
N-(3-methylphenyl)-2-phenyl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 53143497
4-methyl-2-phenyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080350
N-(3-acetylphenyl)-2-benzyl-4-methylpyrimidine-5-carboxamide
CID 100753620
N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 53080300
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
N-(3-acetamidophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110861356
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
N-(3-acetylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide
CID 53080148
4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide
CID 112770537

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide (CID 96596105) is N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cnc(-c3ccccc3)nc2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is BCGMBLRSLQXDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-18(12-21-19(22-13)15-7-4-3-5-8-15)20(26)24-17-10-6-9-16(11-17)23-14(2)25/h3-12H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide?
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 96596105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).