6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

C19H15N5O — CID 109356188

IUPAC6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3ccccc3C#N)ncn2)c1
InChIInChI=1S/C19H15N5O/c1-13-5-4-7-15(9-13)23-19(25)17-10-18(22-12-21-17)24-16-8-3-2-6-14(16)11-20/h2-10,12H,1H3,(H,23,25)(H,21,22,24)
InChIKeyIAJWOJPRLYJNHZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.65
Rot. Bonds4

About 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356188) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109356188
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3ccccc3C#N)ncn2)c1
InChIInChI=1S/C19H15N5O/c1-13-5-4-7-15(9-13)23-19(25)17-10-18(22-12-21-17)24-16-8-3-2-6-14(16)11-20/h2-10,12H,1H3,(H,23,25)(H,21,22,24)
InChIKeyIAJWOJPRLYJNHZ-UHFFFAOYSA-N
XLogP3.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923
N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
methyl 2-[[6-[(3-methylphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109356166
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109359869
N-(2-cyanophenyl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848255
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860
6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109356188) is 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(Nc3ccccc3C#N)ncn2)c1.
What is the InChIKey of 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is IAJWOJPRLYJNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-5-4-7-15(9-13)23-19(25)17-10-18(22-12-21-17)24-16-8-3-2-6-14(16)11-20/h2-10,12H,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).