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

C20H18N4O2 — CID 109314233

IUPACN-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(N(C)c3ccccc3)n2)c1
InChIInChI=1S/C20H18N4O2/c1-14(25)15-7-6-8-16(13-15)22-19(26)18-11-12-21-20(23-18)24(2)17-9-4-3-5-10-17/h3-13H,1-2H3,(H,22,26)
InChIKeyNUBLMPTXVVKBSA-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.70
Rot. Bonds5

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

N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109314233) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109314233
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(N(C)c3ccccc3)n2)c1
InChIInChI=1S/C20H18N4O2/c1-14(25)15-7-6-8-16(13-15)22-19(26)18-11-12-21-20(23-18)24(2)17-9-4-3-5-10-17/h3-13H,1-2H3,(H,22,26)
InChIKeyNUBLMPTXVVKBSA-UHFFFAOYSA-N
XLogP3.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314273
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318199
N-(3-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311663
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
2-(N-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314256
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314243
N-(3-acetylphenyl)-2-(tert-butylamino)pyrimidine-4-carboxamide
CID 109311253
N-(5-chloro-2-methylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314210

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide (CID 109314233) is N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(N(C)c3ccccc3)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is NUBLMPTXVVKBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14(25)15-7-6-8-16(13-15)22-19(26)18-11-12-21-20(23-18)24(2)17-9-4-3-5-10-17/h3-13H,1-2H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).