2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide

C21H18N4O3 — CID 109318161

IUPAC2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3cccc(C(C)=O)c3)n2)c1
InChIInChI=1S/C21H18N4O3/c1-13(26)15-5-3-7-17(11-15)23-20(28)19-9-10-22-21(25-19)24-18-8-4-6-16(12-18)14(2)27/h3-12H,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyVENNNVPNPDCNKH-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.88
Rot. Bonds6

About 2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide

2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide (PubChem CID 109318161) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
PubChem CID109318161
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3cccc(C(C)=O)c3)n2)c1
InChIInChI=1S/C21H18N4O3/c1-13(26)15-5-3-7-17(11-15)23-20(28)19-9-10-22-21(25-19)24-18-8-4-6-16(12-18)14(2)27/h3-12H,1-2H3,(H,23,28)(H,22,24,25)
InChIKeyVENNNVPNPDCNKH-UHFFFAOYSA-N
XLogP3.88
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315486
N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide
CID 109311253
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
methyl 3-[[4-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109313951
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
2-(3-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303534
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide (CID 109318161) is 2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(Nc3cccc(C(C)=O)c3)n2)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide?
The InChIKey is VENNNVPNPDCNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13(26)15-5-3-7-17(11-15)23-20(28)19-9-10-22-21(25-19)24-18-8-4-6-16(12-18)14(2)27/h3-12H,1-2H3,(H,23,28)(H,22,24,25).
What are the key properties of 2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide?
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.88, 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-acetylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).