5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide

C14H16ClN5O — CID 86800564

IUPAC5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1nnc2n1CCCC2)c1ccc(Cl)cn1
InChIInChI=1S/C14H16ClN5O/c15-10-4-5-11(17-9-10)14(21)16-7-6-13-19-18-12-3-1-2-8-20(12)13/h4-5,9H,1-3,6-8H2,(H,16,21)
InChIKeyAIQOPQMBDGKHJV-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.64
Rot. Bonds4

About 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide

5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 86800564) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID86800564
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1nnc2n1CCCC2)c1ccc(Cl)cn1
InChIInChI=1S/C14H16ClN5O/c15-10-4-5-11(17-9-10)14(21)16-7-6-13-19-18-12-3-1-2-8-20(12)13/h4-5,9H,1-3,6-8H2,(H,16,21)
InChIKeyAIQOPQMBDGKHJV-UHFFFAOYSA-N
XLogP1.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide (CID 86800564) is 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide is O=C(NCCc1nnc2n1CCCC2)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is AIQOPQMBDGKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-10-4-5-11(17-9-10)14(21)16-7-6-13-19-18-12-3-1-2-8-20(12)13/h4-5,9H,1-3,6-8H2,(H,16,21).
What are the key properties of 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide?
5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 86800564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).