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

C20H20N6O — CID 155671017

IUPAC3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]c2ccccc12
InChIInChI=1S/C20H20N6O/c1-12(2)26-11-21-25-19(26)16-9-6-10-17(22-16)24-20(27)18-13(3)14-7-4-5-8-15(14)23-18/h4-12,23H,1-3H3,(H,22,24,27)
InChIKeyHWPIAYNLKGWDKU-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.96
Rot. Bonds4

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

3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (PubChem CID 155671017) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
PubChem CID155671017
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]c2ccccc12
InChIInChI=1S/C20H20N6O/c1-12(2)26-11-21-25-19(26)16-9-6-10-17(22-16)24-20(27)18-13(3)14-7-4-5-8-15(14)23-18/h4-12,23H,1-3H3,(H,22,24,27)
InChIKeyHWPIAYNLKGWDKU-UHFFFAOYSA-N
XLogP3.96
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide (CID 155671017) is 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is Cc1c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)[nH]c2ccccc12.
What is the InChIKey of 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
The InChIKey is HWPIAYNLKGWDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-12(2)26-11-21-25-19(26)16-9-6-10-17(22-16)24-20(27)18-13(3)14-7-4-5-8-15(14)23-18/h4-12,23H,1-3H3,(H,22,24,27).
What are the key properties of 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide?
3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155671017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).