3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide

C13H16ClN3O — CID 107487044

IUPAC3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1ccncc1Cl
InChIInChI=1S/C13H16ClN3O/c14-12-9-16-7-4-11(12)13(18)17-8-3-10-1-5-15-6-2-10/h1,4,7,9,15H,2-3,5-6,8H2,(H,17,18)
InChIKeySBYKOZXWXVIGOX-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.77
Rot. Bonds4

About 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide

3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 107487044) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID107487044
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1ccncc1Cl
InChIInChI=1S/C13H16ClN3O/c14-12-9-16-7-4-11(12)13(18)17-8-3-10-1-5-15-6-2-10/h1,4,7,9,15H,2-3,5-6,8H2,(H,17,18)
InChIKeySBYKOZXWXVIGOX-UHFFFAOYSA-N
XLogP1.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
CID 107487182
2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486730
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
2,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487494
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide (CID 107487044) is 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide is O=C(NCCC1=CCNCC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is SBYKOZXWXVIGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-12-9-16-7-4-11(12)13(18)17-8-3-10-1-5-15-6-2-10/h1,4,7,9,15H,2-3,5-6,8H2,(H,17,18).
What are the key properties of 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide?
3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 265.74 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 107487044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).