N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide

C21H20N4O4 — CID 109359259

IUPACN-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3cccc(C(C)=O)c3)ncn2)cc1OC
InChIInChI=1S/C21H20N4O4/c1-13(26)14-5-4-6-15(9-14)25-21(27)17-11-20(23-12-22-17)24-16-7-8-18(28-2)19(10-16)29-3/h4-12H,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyRPOGVADGABVKTB-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.69
Rot. Bonds7

About N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109359259) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109359259
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3cccc(C(C)=O)c3)ncn2)cc1OC
InChIInChI=1S/C21H20N4O4/c1-13(26)14-5-4-6-15(9-14)25-21(27)17-11-20(23-12-22-17)24-16-7-8-18(28-2)19(10-16)29-3/h4-12H,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyRPOGVADGABVKTB-UHFFFAOYSA-N
XLogP3.69
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357948
6-(3-acetylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357655
6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357654
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
methyl 3-[[6-(phenylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109355850
methyl 3-[[6-(4-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358245
1-[3-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866236
6-(3-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109358400

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide (CID 109359259) is N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3cccc(C(C)=O)c3)ncn2)cc1OC.
What is the InChIKey of N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is RPOGVADGABVKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13(26)14-5-4-6-15(9-14)25-21(27)17-11-20(23-12-22-17)24-16-7-8-18(28-2)19(10-16)29-3/h4-12H,1-3H3,(H,25,27)(H,22,23,24).
What are the key properties of N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).