N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide

C17H18ClN3O — CID 23149647

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccncc1
InChIInChI=1S/C17H18ClN3O/c18-14-4-5-16(21-10-2-1-3-11-21)15(12-14)20-17(22)13-6-8-19-9-7-13/h4-9,12H,1-3,10-11H2,(H,20,22)
InChIKeyMODTWVFKMXKHFV-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.98
Rot. Bonds3

About N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide (PubChem CID 23149647) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
PubChem CID23149647
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccncc1
InChIInChI=1S/C17H18ClN3O/c18-14-4-5-16(21-10-2-1-3-11-21)15(12-14)20-17(22)13-6-8-19-9-7-13/h4-9,12H,1-3,10-11H2,(H,20,22)
InChIKeyMODTWVFKMXKHFV-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-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
4-chloro-N-[5-chloro-2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1489362
N-[2-(azepan-1-yl)-5-chlorophenyl]-4-(dimethylsulfamoyl)benzamide
CID 2441869
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134044794
N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17488366
N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581633
N-(2,5-dichlorophenyl)-2-piperidin-1-ylpyridine-4-carboxamide
CID 109166252
N-(2-bromo-5-chlorophenyl)pyridine-4-carboxamide
CID 81272185
N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225862
4-chloro-N-[2-pyrrolidin-1-yl-5-(tetrazol-1-yl)phenyl]benzamide
CID 50776956
N-[3-[(5-chloro-2-methylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]benzamide
CID 46326455

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide (CID 23149647) is N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1ccncc1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide?
The InChIKey is MODTWVFKMXKHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-4-5-16(21-10-2-1-3-11-21)15(12-14)20-17(22)13-6-8-19-9-7-13/h4-9,12H,1-3,10-11H2,(H,20,22).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-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-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 23149647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).