5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide

C16H16ClN3O2 — CID 109101245

IUPAC5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClN3O2/c1-2-7-19-15(21)11-8-12(10-18-9-11)16(22)20-14-6-4-3-5-13(14)17/h3-6,8-10H,2,7H2,1H3,(H,19,21)(H,20,22)
InChIKeyHSBDJLJWJSDENU-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.13
Rot. Bonds5

About 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide

5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide (PubChem CID 109101245) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
PubChem CID109101245
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C16H16ClN3O2/c1-2-7-19-15(21)11-8-12(10-18-9-11)16(22)20-14-6-4-3-5-13(14)17/h3-6,8-10H,2,7H2,1H3,(H,19,21)(H,20,22)
InChIKeyHSBDJLJWJSDENU-UHFFFAOYSA-N
XLogP3.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107345
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-N-(2-chlorophenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107777
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
5-N-(2-chlorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105759
3-N-(2-chlorophenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108073
5-N-(2-chlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104909

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide (CID 109101245) is 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide is CCCNC(=O)c1cncc(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide?
The InChIKey is HSBDJLJWJSDENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-2-7-19-15(21)11-8-12(10-18-9-11)16(22)20-14-6-4-3-5-13(14)17/h3-6,8-10H,2,7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide?
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide has a molecular weight of 317.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).