3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide

C16H11ClN6O — CID 51089003

IUPAC3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C16H11ClN6O/c17-14-11-3-1-2-4-12(11)22-15(14)16(24)21-10-5-6-13(19-7-10)23-9-18-8-20-23/h1-9,22H,(H,21,24)
InChIKeyGKTYULOZXOZPDF-UHFFFAOYSA-N
MW338.76 g/mol
LogP3.05
Rot. Bonds3

About 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide

3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 51089003) has the molecular formula C16H11ClN6O and a molecular weight of 338.76 g/mol. Its IUPAC name is 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide
PubChem CID51089003
Molecular FormulaC16H11ClN6O
Molecular Weight338.76 g/mol
Exact Mass338.07
IUPAC Name3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C16H11ClN6O/c17-14-11-3-1-2-4-12(11)22-15(14)16(24)21-10-5-6-13(19-7-10)23-9-18-8-20-23/h1-9,22H,(H,21,24)
InChIKeyGKTYULOZXOZPDF-UHFFFAOYSA-N
XLogP3.05
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-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 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide (CID 51089003) is 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is GKTYULOZXOZPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O/c17-14-11-3-1-2-4-12(11)22-15(14)16(24)21-10-5-6-13(19-7-10)23-9-18-8-20-23/h1-9,22H,(H,21,24).
What are the key properties of 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide?
3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 338.76 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51089003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).