N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide

C16H15Cl2N3O — CID 109225862

IUPACN-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cncc(N2CCCC2)c1
InChIInChI=1S/C16H15Cl2N3O/c17-12-3-4-14(18)15(8-12)20-16(22)11-7-13(10-19-9-11)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2,(H,20,22)
InChIKeyXOCOMGFHSZGTDT-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.24
Rot. Bonds3

About N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide

N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 109225862) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID109225862
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cncc(N2CCCC2)c1
InChIInChI=1S/C16H15Cl2N3O/c17-12-3-4-14(18)15(8-12)20-16(22)11-7-13(10-19-9-11)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2,(H,20,22)
InChIKeyXOCOMGFHSZGTDT-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225802
N-(2,5-dichlorophenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102983
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(2,5-dichlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242525
N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238742
N-(2,5-dichlorophenyl)-2-piperidin-1-ylpyridine-4-carboxamide
CID 109166252
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide (CID 109225862) is N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cncc(N2CCCC2)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is XOCOMGFHSZGTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-12-3-4-14(18)15(8-12)20-16(22)11-7-13(10-19-9-11)21-5-1-2-6-21/h3-4,7-10H,1-2,5-6H2,(H,20,22).
What are the key properties of N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 109225862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).