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

C13H16ClN3O — CID 107487182

IUPAC5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1ccc(Cl)cn1
InChIInChI=1S/C13H16ClN3O/c14-11-1-2-12(17-9-11)13(18)16-8-5-10-3-6-15-7-4-10/h1-3,9,15H,4-8H2,(H,16,18)
InChIKeyBRUVXKFYCRAPSL-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.77
Rot. Bonds4

About 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide

5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 107487182) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID107487182
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1ccc(Cl)cn1
InChIInChI=1S/C13H16ClN3O/c14-11-1-2-12(17-9-11)13(18)16-8-5-10-3-6-15-7-4-10/h1-3,9,15H,4-8H2,(H,16,18)
InChIKeyBRUVXKFYCRAPSL-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-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486985
3-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-4-carboxamide
CID 107487044
2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486730
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
2-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 114031328
2-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107487272
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 107487027
4-chloro-1-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide
CID 107487479
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
3,5-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107705356
2-bromo-3-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486823

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide (CID 107487182) is 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide is O=C(NCCC1=CCNCC1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is BRUVXKFYCRAPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-11-1-2-12(17-9-11)13(18)16-8-5-10-3-6-15-7-4-10/h1-3,9,15H,4-8H2,(H,16,18).
What are the key properties of 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide?
5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-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 5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107487182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).