N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide

C19H16N4O2 — CID 109313448

IUPACN-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3ccccc3)n2)c1
InChIInChI=1S/C19H16N4O2/c1-13(24)14-6-5-9-16(12-14)21-18(25)17-10-11-20-19(23-17)22-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,25)(H,20,22,23)
InChIKeyZCYZIHLTYCMABP-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.68
Rot. Bonds5

About N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide

N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide (PubChem CID 109313448) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
PubChem CID109313448
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3ccccc3)n2)c1
InChIInChI=1S/C19H16N4O2/c1-13(24)14-6-5-9-16(12-14)21-18(25)17-10-11-20-19(23-17)22-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,25)(H,20,22,23)
InChIKeyZCYZIHLTYCMABP-UHFFFAOYSA-N
XLogP3.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide
CID 109311253
2-(3-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315486
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
methyl 3-[[4-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109313951

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide (CID 109313448) is N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(Nc3ccccc3)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide?
The InChIKey is ZCYZIHLTYCMABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-13(24)14-6-5-9-16(12-14)21-18(25)17-10-11-20-19(23-17)22-15-7-3-2-4-8-15/h2-12H,1H3,(H,21,25)(H,20,22,23).
What are the key properties of N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide is sourced from PubChem (CID 109313448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).