3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C17H17ClN4O2 — CID 53196971

IUPAC3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCOCCCNC(=O)c1ccn2c(-c3ccccc3Cl)nnc2c1
InChIInChI=1S/C17H17ClN4O2/c1-24-10-4-8-19-17(23)12-7-9-22-15(11-12)20-21-16(22)13-5-2-3-6-14(13)18/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,19,23)
InChIKeyTZGRTESSQRPEOX-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.82
Rot. Bonds6

About 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 53196971) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID53196971
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCOCCCNC(=O)c1ccn2c(-c3ccccc3Cl)nnc2c1
InChIInChI=1S/C17H17ClN4O2/c1-24-10-4-8-19-17(23)12-7-9-22-15(11-12)20-21-16(22)13-5-2-3-6-14(13)18/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,19,23)
InChIKeyTZGRTESSQRPEOX-UHFFFAOYSA-N
XLogP2.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 53196971) is 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is COCCCNC(=O)c1ccn2c(-c3ccccc3Cl)nnc2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is TZGRTESSQRPEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-24-10-4-8-19-17(23)12-7-9-22-15(11-12)20-21-16(22)13-5-2-3-6-14(13)18/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,19,23).
What are the key properties of 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 53196971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).