2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide

C21H18ClN3O3 — CID 109092798

IUPAC2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-2-28-16-9-7-15(8-10-16)24-20(26)14-11-12-23-19(13-14)21(27)25-18-6-4-3-5-17(18)22/h3-13H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyLMPFAMGZNAFNFK-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.64
Rot. Bonds6

About 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide

2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109092798) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
PubChem CID109092798
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-2-28-16-9-7-15(8-10-16)24-20(26)14-11-12-23-19(13-14)21(27)25-18-6-4-3-5-17(18)22/h3-13H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyLMPFAMGZNAFNFK-UHFFFAOYSA-N
XLogP4.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093012
N-(2-chlorophenyl)-4-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109220864
2-N-(2-chlorophenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092468
2-N-(2-ethoxyphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090848
4-N-(2-chlorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091921
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
4-N-(4-ethoxyphenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088955
2-N-(2-ethylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090820
4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804
2-N-(2-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092591
4-N-(2-chlorophenyl)-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092151
2-N-(4-ethoxyphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085098

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide (CID 109092798) is 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide is CCOc1ccc(NC(=O)c2ccnc(C(=O)Nc3ccccc3Cl)c2)cc1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is LMPFAMGZNAFNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-2-28-16-9-7-15(8-10-16)24-20(26)14-11-12-23-19(13-14)21(27)25-18-6-4-3-5-17(18)22/h3-13H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide?
2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109092798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).