N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide

C21H19N5O3 — CID 109270119

IUPACN-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Nc3ccc(C(C)=O)cc3)nc2)cc1
InChIInChI=1S/C21H19N5O3/c1-13(27)15-3-5-19(6-4-15)26-21-22-11-16(12-23-21)20(29)25-18-9-7-17(8-10-18)24-14(2)28/h3-12H,1-2H3,(H,24,28)(H,25,29)(H,22,23,26)
InChIKeyMJYNMGSWYWGKIL-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.63
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide

N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide (PubChem CID 109270119) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
PubChem CID109270119
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Nc3ccc(C(C)=O)cc3)nc2)cc1
InChIInChI=1S/C21H19N5O3/c1-13(27)15-3-5-19(6-4-15)26-21-22-11-16(12-23-21)20(29)25-18-9-7-17(8-10-18)24-14(2)28/h3-12H,1-2H3,(H,24,28)(H,25,29)(H,22,23,26)
InChIKeyMJYNMGSWYWGKIL-UHFFFAOYSA-N
XLogP3.63
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109269223
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
N-(4-acetamidophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247206
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
2-(4-acetylanilino)-N-quinolin-8-ylpyrimidine-5-carboxamide
CID 109270127
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
N-(4-tert-butylphenyl)-2-(4-chloroanilino)pyrimidine-5-carboxamide
CID 109268262

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide (CID 109270119) is N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(Nc3ccc(C(C)=O)cc3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide?
The InChIKey is MJYNMGSWYWGKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(27)15-3-5-19(6-4-15)26-21-22-11-16(12-23-21)20(29)25-18-9-7-17(8-10-18)24-14(2)28/h3-12H,1-2H3,(H,24,28)(H,25,29)(H,22,23,26).
What are the key properties of N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109270119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).