N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide

C18H16N6O — CID 71708931

IUPACN-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1)c1cccnc1
InChIInChI=1S/C18H16N6O/c25-17(13-4-3-9-19-10-13)22-18-21-16(23-24-18)8-7-12-11-20-15-6-2-1-5-14(12)15/h1-6,9-11,20H,7-8H2,(H2,21,22,23,24,25)
InChIKeyBBZWMCHEOLCCSK-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.72
Rot. Bonds5

About N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide

N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide (PubChem CID 71708931) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
PubChem CID71708931
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1)c1cccnc1
InChIInChI=1S/C18H16N6O/c25-17(13-4-3-9-19-10-13)22-18-21-16(23-24-18)8-7-12-11-20-15-6-2-1-5-14(12)15/h1-6,9-11,20H,7-8H2,(H2,21,22,23,24,25)
InChIKeyBBZWMCHEOLCCSK-UHFFFAOYSA-N
XLogP2.72
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-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 N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide (CID 71708931) is N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide is O=C(Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1)c1cccnc1.
What is the InChIKey of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
The InChIKey is BBZWMCHEOLCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-17(13-4-3-9-19-10-13)22-18-21-16(23-24-18)8-7-12-11-20-15-6-2-1-5-14(12)15/h1-6,9-11,20H,7-8H2,(H2,21,22,23,24,25).
What are the key properties of N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide?
N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71708931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).