3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide

C14H20ClN3O2 — CID 111499093

IUPAC3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)c1ccncc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-13-10-16-6-2-12(13)14(20)17-5-1-7-18-8-3-11(19)4-9-18/h2,6,10-11,19H,1,3-5,7-9H2,(H,17,20)
InChIKeyHALUKVBWWLAONU-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.31
Rot. Bonds5

About 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide

3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide (PubChem CID 111499093) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
PubChem CID111499093
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)c1ccncc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-13-10-16-6-2-12(13)14(20)17-5-1-7-18-8-3-11(19)4-9-18/h2,6,10-11,19H,1,3-5,7-9H2,(H,17,20)
InChIKeyHALUKVBWWLAONU-UHFFFAOYSA-N
XLogP1.31
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638
4-chloro-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 81226066
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 66484717
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 110007287
3-amino-N-(3-morpholin-4-ylpropyl)pyridine-4-carboxamide
CID 105068500
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide (CID 111499093) is 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide is O=C(NCCCN1CCC(O)CC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide?
The InChIKey is HALUKVBWWLAONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-13-10-16-6-2-12(13)14(20)17-5-1-7-18-8-3-11(19)4-9-18/h2,6,10-11,19H,1,3-5,7-9H2,(H,17,20).
What are the key properties of 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide?
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 111499093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).