N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide

C21H18N6O2 — CID 112850860

IUPACN-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(Nc3ccccc3C#N)nc(C)n2)c1
InChIInChI=1S/C21H18N6O2/c1-13-23-19(11-20(24-13)27-18-9-4-3-6-15(18)12-22)21(29)26-17-8-5-7-16(10-17)25-14(2)28/h3-11H,1-2H3,(H,25,28)(H,26,29)(H,23,24,27)
InChIKeyWPRXMTDJYWXWME-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.61
Rot. Bonds5

About N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide

N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850860) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112850860
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(Nc3ccccc3C#N)nc(C)n2)c1
InChIInChI=1S/C21H18N6O2/c1-13-23-19(11-20(24-13)27-18-9-4-3-6-15(18)12-22)21(29)26-17-8-5-7-16(10-17)25-14(2)28/h3-11H,1-2H3,(H,25,28)(H,26,29)(H,23,24,27)
InChIKeyWPRXMTDJYWXWME-UHFFFAOYSA-N
XLogP3.61
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
N-(3-chloro-4-fluorophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850360
N-(2-cyanophenyl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848255
N-[4-[[6-(2-cyanoanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878813
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109200420
6-(2-cyanoanilino)-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112849713
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112850765
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide (CID 112850860) is N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(Nc3ccccc3C#N)nc(C)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is WPRXMTDJYWXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-13-23-19(11-20(24-13)27-18-9-4-3-6-15(18)12-22)21(29)26-17-8-5-7-16(10-17)25-14(2)28/h3-11H,1-2H3,(H,25,28)(H,26,29)(H,23,24,27).
What are the key properties of N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).