2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide

C14H20ClN3O — CID 61053126

IUPAC2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cccnc1Cl)N1CCCCC1
InChIInChI=1S/C14H20ClN3O/c1-11(18-8-3-2-4-9-18)10-17-14(19)12-6-5-7-16-13(12)15/h5-7,11H,2-4,8-10H2,1H3,(H,17,19)
InChIKeyGXRUMEHOCANCLU-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.34
Rot. Bonds4

About 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide

2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 61053126) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID61053126
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cccnc1Cl)N1CCCCC1
InChIInChI=1S/C14H20ClN3O/c1-11(18-8-3-2-4-9-18)10-17-14(19)12-6-5-7-16-13(12)15/h5-7,11H,2-4,8-10H2,1H3,(H,17,19)
InChIKeyGXRUMEHOCANCLU-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
5-bromo-2-chloro-N-(2-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 78991392
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
4-chloro-N-(2-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61053300
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 66089719
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 98718599

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide (CID 61053126) is 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide is CC(CNC(=O)c1cccnc1Cl)N1CCCCC1.
What is the InChIKey of 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is GXRUMEHOCANCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-11(18-8-3-2-4-9-18)10-17-14(19)12-6-5-7-16-13(12)15/h5-7,11H,2-4,8-10H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide?
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 61053126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).