2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide

C21H15ClN4O2 — CID 109092910

IUPAC2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C21H15ClN4O2/c1-13-17(22)6-3-7-18(13)26-21(28)19-11-15(8-9-24-19)20(27)25-16-5-2-4-14(10-16)12-23/h2-11H,1H3,(H,25,27)(H,26,28)
InChIKeyNPQBQIQBDAYEHC-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.42
Rot. Bonds4

About 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide

2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109092910) has the molecular formula C21H15ClN4O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
PubChem CID109092910
Molecular FormulaC21H15ClN4O2
Molecular Weight390.83 g/mol
Exact Mass390.09
IUPAC Name2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C21H15ClN4O2/c1-13-17(22)6-3-7-18(13)26-21(28)19-11-15(8-9-24-19)20(27)25-16-5-2-4-14(10-16)12-23/h2-11H,1H3,(H,25,27)(H,26,28)
InChIKeyNPQBQIQBDAYEHC-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-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
4-N-(3-cyanophenyl)-2-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109093258
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109163549
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089161
2-N-[(4-chlorophenyl)methyl]-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109086783
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
4-N-(2-chlorophenyl)-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092151
4-N-(3-chloro-2-methylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092904
N-(3-chloro-2-methylphenyl)-2-(3-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109337220

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide (CID 109092910) is 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1.
What is the InChIKey of 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is NPQBQIQBDAYEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2/c1-13-17(22)6-3-7-18(13)26-21(28)19-11-15(8-9-24-19)20(27)25-16-5-2-4-14(10-16)12-23/h2-11H,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide?
2-N-(3-chloro-2-methylphenyl)-4-N-(3-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 2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).