2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide

C22H20ClN3O2 — CID 109092335

IUPAC2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1ccnc(C(=O)Nc2cccc(Cl)c2C)c1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-3-26(17-8-5-4-6-9-17)22(28)16-12-13-24-20(14-16)21(27)25-19-11-7-10-18(23)15(19)2/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyKQMJCITUWZOYFK-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.96
Rot. Bonds5

About 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide

2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109092335) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109092335
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1ccnc(C(=O)Nc2cccc(Cl)c2C)c1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-3-26(17-8-5-4-6-9-17)22(28)16-12-13-24-20(14-16)21(27)25-19-11-7-10-18(23)15(19)2/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyKQMJCITUWZOYFK-UHFFFAOYSA-N
XLogP4.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-ethoxyphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092343
2-N-(3-chloro-2-methylphenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090481
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
2-N-tert-butyl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109089266
3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815218
2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109080221
4-N-tert-butyl-2-N-(3-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089161
4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092374
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
2-N-ethyl-4-N-(2-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092376
2-N-(2-chlorophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090478
4-N-(2-chlorophenyl)-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092151

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide (CID 109092335) is 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide is CCN(C(=O)c1ccnc(C(=O)Nc2cccc(Cl)c2C)c1)c1ccccc1.
What is the InChIKey of 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is KQMJCITUWZOYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-3-26(17-8-5-4-6-9-17)22(28)16-12-13-24-20(14-16)21(27)25-19-11-7-10-18(23)15(19)2/h4-14H,3H2,1-2H3,(H,25,27).
What are the key properties of 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide?
2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).