2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide

C20H19N5O2 — CID 109255327

IUPAC2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ncc(C(=O)NCc3ccccc3)cn2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-7-9-18(10-8-17)25-20-22-12-16(13-23-20)19(27)21-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,27)(H,24,26)(H,22,23,25)
InChIKeyXBOUUFFJYPSAOI-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide

2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide (PubChem CID 109255327) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
PubChem CID109255327
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ncc(C(=O)NCc3ccccc3)cn2)cc1
InChIInChI=1S/C20H19N5O2/c1-14(26)24-17-7-9-18(10-8-17)25-20-22-12-16(13-23-20)19(27)21-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,27)(H,24,26)(H,22,23,25)
InChIKeyXBOUUFFJYPSAOI-UHFFFAOYSA-N
XLogP3.11
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-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

ethyl 4-[[5-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109255349
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
N-benzyl-2-(3-bromoanilino)pyrimidine-5-carboxamide
CID 109255341
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
2-(1,3-benzodioxol-5-ylamino)-N-benzylpyrimidine-5-carboxamide
CID 109255345
2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide (CID 109255327) is 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide is CC(=O)Nc1ccc(Nc2ncc(C(=O)NCc3ccccc3)cn2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide?
The InChIKey is XBOUUFFJYPSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14(26)24-17-7-9-18(10-8-17)25-20-22-12-16(13-23-20)19(27)21-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,27)(H,24,26)(H,22,23,25).
What are the key properties of 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide?
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide is sourced from PubChem (CID 109255327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).