2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide

C22H24N4O3 — CID 167908945

IUPAC2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc2nnc(CCCO)n2c1
InChIInChI=1S/C22H24N4O3/c1-2-3-8-18-21(16-7-4-5-9-17(16)29-18)22(28)23-15-11-12-20-25-24-19(10-6-13-27)26(20)14-15/h4-5,7,9,11-12,14,27H,2-3,6,8,10,13H2,1H3,(H,23,28)
InChIKeyUSBAZWLRXMWABI-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.00
Rot. Bonds8

About 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide

2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide (PubChem CID 167908945) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide
PubChem CID167908945
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)Nc1ccc2nnc(CCCO)n2c1
InChIInChI=1S/C22H24N4O3/c1-2-3-8-18-21(16-7-4-5-9-17(16)29-18)22(28)23-15-11-12-20-25-24-19(10-6-13-27)26(20)14-15/h4-5,7,9,11-12,14,27H,2-3,6,8,10,13H2,1H3,(H,23,28)
InChIKeyUSBAZWLRXMWABI-UHFFFAOYSA-N
XLogP4.00
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-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 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide (CID 167908945) is 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)Nc1ccc2nnc(CCCO)n2c1.
What is the InChIKey of 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide?
The InChIKey is USBAZWLRXMWABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-3-8-18-21(16-7-4-5-9-17(16)29-18)22(28)23-15-11-12-20-25-24-19(10-6-13-27)26(20)14-15/h4-5,7,9,11-12,14,27H,2-3,6,8,10,13H2,1H3,(H,23,28).
What are the key properties of 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide?
2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[3-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167908945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).