6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide

C17H18ClN3O2 — CID 109094492

IUPAC6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN3O2/c1-11(2)10-19-16(22)14-4-3-5-15(21-14)17(23)20-13-8-6-12(18)7-9-13/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYPVJZQVVGNDCLJ-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.37
Rot. Bonds5

About 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide

6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide (PubChem CID 109094492) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
PubChem CID109094492
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
SMILESCC(C)CNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN3O2/c1-11(2)10-19-16(22)14-4-3-5-15(21-14)17(23)20-13-8-6-12(18)7-9-13/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyYPVJZQVVGNDCLJ-UHFFFAOYSA-N
XLogP3.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094411
6-N-(3,4-dimethoxyphenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094513
2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
6-N-(3-cyanophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094562
methyl 3-[[6-(2-methylpropylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109094522
2-N-[(2-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094410
2-N-(2-methylpropyl)-6-N-(2-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109094481
2-N-[(4-chlorophenyl)methyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109097951
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide (CID 109094492) is 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide is CC(C)CNC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
The InChIKey is YPVJZQVVGNDCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(2)10-19-16(22)14-4-3-5-15(21-14)17(23)20-13-8-6-12(18)7-9-13/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide?
6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).