4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide

C20H16N4O — CID 109219127

IUPAC4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3ccccc3C#N)ccn2)c1
InChIInChI=1S/C20H16N4O/c1-14-5-4-7-16(11-14)24-20(25)19-12-17(9-10-22-19)23-18-8-3-2-6-15(18)13-21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyRGLQFHLWMQZEQL-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.26
Rot. Bonds4

About 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide

4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109219127) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109219127
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Nc3ccccc3C#N)ccn2)c1
InChIInChI=1S/C20H16N4O/c1-14-5-4-7-16(11-14)24-20(25)19-12-17(9-10-22-19)23-18-8-3-2-6-15(18)13-21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyRGLQFHLWMQZEQL-UHFFFAOYSA-N
XLogP4.26
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956
N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109222479
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109356188
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
4-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219072
4-(3-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222698
4-(2-ethoxyanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219092
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109219127) is 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cc(Nc3ccccc3C#N)ccn2)c1.
What is the InChIKey of 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is RGLQFHLWMQZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-14-5-4-7-16(11-14)24-20(25)19-12-17(9-10-22-19)23-18-8-3-2-6-15(18)13-21/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).