6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide

C18H26ClN3O — CID 24979446

IUPAC6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C18H26ClN3O/c19-16-8-7-15(13-20-16)17(23)21-14-18(9-3-1-4-10-18)22-11-5-2-6-12-22/h7-8,13H,1-6,9-12,14H2,(H,21,23)
InChIKeySQMVHAKTLHBCAG-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.65
Rot. Bonds4

About 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide

6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 24979446) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID24979446
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C18H26ClN3O/c19-16-8-7-15(13-20-16)17(23)21-14-18(9-3-1-4-10-18)22-11-5-2-6-12-22/h7-8,13H,1-6,9-12,14H2,(H,21,23)
InChIKeySQMVHAKTLHBCAG-UHFFFAOYSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide (CID 24979446) is 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is SQMVHAKTLHBCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c19-16-8-7-15(13-20-16)17(23)21-14-18(9-3-1-4-10-18)22-11-5-2-6-12-22/h7-8,13H,1-6,9-12,14H2,(H,21,23).
What are the key properties of 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide?
6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 335.88 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24979446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).