N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide

C17H18ClN3O — CID 109226552

IUPACN-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cncc(N2CCCCC2)c1
InChIInChI=1S/C17H18ClN3O/c18-14-5-4-6-15(10-14)20-17(22)13-9-16(12-19-11-13)21-7-2-1-3-8-21/h4-6,9-12H,1-3,7-8H2,(H,20,22)
InChIKeyMDGPEWMKEONRFD-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.98
Rot. Bonds3

About N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide

N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 109226552) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
PubChem CID109226552
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cncc(N2CCCCC2)c1
InChIInChI=1S/C17H18ClN3O/c18-14-5-4-6-15(10-14)20-17(22)13-9-16(12-19-11-13)21-7-2-1-3-8-21/h4-6,9-12H,1-3,7-8H2,(H,20,22)
InChIKeyMDGPEWMKEONRFD-UHFFFAOYSA-N
XLogP3.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
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-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225802
N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225862
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268738
N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226574

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide (CID 109226552) is N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cncc(N2CCCCC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is MDGPEWMKEONRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-5-4-6-15(10-14)20-17(22)13-9-16(12-19-11-13)21-7-2-1-3-8-21/h4-6,9-12H,1-3,7-8H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide?
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 109226552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).