4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide

C22H20ClN3O2 — CID 109086090

IUPAC4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccn1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-15(17-5-3-2-4-6-17)26-22(28)20-13-18(11-12-24-20)21(27)25-14-16-7-9-19(23)10-8-16/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyKNVFUBUPTAWFNT-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.16
Rot. Bonds6

About 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide

4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109086090) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109086090
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccn1)c1ccccc1
InChIInChI=1S/C22H20ClN3O2/c1-15(17-5-3-2-4-6-17)26-22(28)20-13-18(11-12-24-20)21(27)25-14-16-7-9-19(23)10-8-16/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyKNVFUBUPTAWFNT-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086006
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 109086251
2-N-benzyl-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109085462
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
2-N-[(4-chlorophenyl)methyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086762
4-N-benzyl-2-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086171
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109086163
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2844386
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide (CID 109086090) is 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide is CC(NC(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccn1)c1ccccc1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is KNVFUBUPTAWFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-15(17-5-3-2-4-6-17)26-22(28)20-13-18(11-12-24-20)21(27)25-14-16-7-9-19(23)10-8-16/h2-13,15H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).