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

C22H20ClN3O2 — CID 109092374

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccn1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-3-26(18-7-5-4-6-8-18)22(28)20-13-16(11-12-24-20)21(27)25-17-10-9-15(2)19(23)14-17/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyCLZCXZNQNRUFNZ-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.96
Rot. Bonds5

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

4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109092374) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109092374
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccn1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-3-26(18-7-5-4-6-8-18)22(28)20-13-16(11-12-24-20)21(27)25-17-10-9-15(2)19(23)14-17/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyCLZCXZNQNRUFNZ-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

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091876
4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092396
2-N-ethyl-4-N-(3-fluorophenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092385
2-N-(3-chloro-4-methylphenyl)-4-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091288
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
2-N-(3-chloro-4-methylphenyl)-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091966
2-N-ethyl-4-N-(2-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092376
4-N-(3-chloro-4-fluorophenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091494
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086459
4-N-(2,5-dimethylphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091824
2-N-(3-chloro-2-methylphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092335
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide (CID 109092374) is 4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide is CCN(C(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccn1)c1ccccc1.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is CLZCXZNQNRUFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-3-26(18-7-5-4-6-8-18)22(28)20-13-16(11-12-24-20)21(27)25-17-10-9-15(2)19(23)14-17/h4-14H,3H2,1-2H3,(H,25,27).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide?
4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-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 4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).