4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide

C21H15ClN4O2 — CID 109092935

IUPAC4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccnc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C21H15ClN4O2/c1-13-10-16(22)4-7-18(13)26-20(27)15-8-9-24-19(11-15)21(28)25-17-5-2-14(12-23)3-6-17/h2-11H,1H3,(H,25,28)(H,26,27)
InChIKeyJUARTHQNFJUMDO-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.42
Rot. Bonds4

About 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide

4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109092935) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
PubChem CID109092935
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccnc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C21H15ClN4O2/c1-13-10-16(22)4-7-18(13)26-20(27)15-8-9-24-19(11-15)21(28)25-17-5-2-14(12-23)3-6-17/h2-11H,1H3,(H,25,28)(H,26,27)
InChIKeyJUARTHQNFJUMDO-UHFFFAOYSA-N
XLogP4.42
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109177662
N-(4-chloro-2-methylphenyl)-5-(4-cyanoanilino)pyridine-2-carboxamide
CID 109199438
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471
2-N-(4-chloro-2-methylphenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092938
4-N-tert-butyl-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109089232
2-N-(4-cyanophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093044
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682
2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078911
4-N-(4-chloro-2-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080960
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide (CID 109092935) is 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)c1ccnc(C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is JUARTHQNFJUMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c1-13-10-16(22)4-7-18(13)26-20(27)15-8-9-24-19(11-15)21(28)25-17-5-2-14(12-23)3-6-17/h2-11H,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide?
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 390.83 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).