N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide

C20H17ClN4O2 — CID 109358316

IUPACN-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(Nc3cccc(Cl)c3C)ncn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-16(21)7-4-8-17(12)25-19-10-18(22-11-23-19)20(27)24-15-6-3-5-14(9-15)13(2)26/h3-11H,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyGKZSGYCURUTORH-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.64
Rot. Bonds5

About N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109358316) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
PubChem CID109358316
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(Nc3cccc(Cl)c3C)ncn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-12-16(21)7-4-8-17(12)25-19-10-18(22-11-23-19)20(27)24-15-6-3-5-14(9-15)13(2)26/h3-11H,1-2H3,(H,24,27)(H,22,23,25)
InChIKeyGKZSGYCURUTORH-UHFFFAOYSA-N
XLogP4.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109353885
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109358400
6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357655
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177564
1-[3-[[5-(3-chloro-2-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112966164
methyl 4-[[6-[(3-chloro-2-methylphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109358350
6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356960
N-butyl-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109340116
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259
2-(3-acetylanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268941
6-(3-chloro-2-methylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350591
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340332

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide (CID 109358316) is N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(Nc3cccc(Cl)c3C)ncn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is GKZSGYCURUTORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12-16(21)7-4-8-17(12)25-19-10-18(22-11-23-19)20(27)24-15-6-3-5-14(9-15)13(2)26/h3-11H,1-2H3,(H,24,27)(H,22,23,25).
What are the key properties of N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).