2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C21H20N4O3 — CID 109337527

IUPAC2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nc(Nc3cccc(C(C)=O)c3)n2)c1
InChIInChI=1S/C21H20N4O3/c1-13-10-19(20(27)23-17-8-5-9-18(12-17)28-3)25-21(22-13)24-16-7-4-6-15(11-16)14(2)26/h4-12H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyLRHDJKZSBAJBJH-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.99
Rot. Bonds6

About 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337527) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337527
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nc(Nc3cccc(C(C)=O)c3)n2)c1
InChIInChI=1S/C21H20N4O3/c1-13-10-19(20(27)23-17-8-5-9-18(12-17)28-3)25-21(22-13)24-16-7-4-6-15(11-16)14(2)26/h4-12H,1-3H3,(H,23,27)(H,22,24,25)
InChIKeyLRHDJKZSBAJBJH-UHFFFAOYSA-N
XLogP3.99
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
2-(3-acetylanilino)-N-(2-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337630
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
methyl 2-[[2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109337500
2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324147

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109337527) is 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(C)nc(Nc3cccc(C(C)=O)c3)n2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is LRHDJKZSBAJBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-10-19(20(27)23-17-8-5-9-18(12-17)28-3)25-21(22-13)24-16-7-4-6-15(11-16)14(2)26/h4-12H,1-3H3,(H,23,27)(H,22,24,25).
What are the key properties of 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).