3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide

C21H15N5O2 — CID 154858086

IUPAC3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2c1ccc1ccccc12
InChIInChI=1S/C21H15N5O2/c1-12-14-10-9-13-6-2-3-7-15(13)18(14)28-17(12)20(27)24-21-23-19(25-26-21)16-8-4-5-11-22-16/h2-11H,1H3,(H2,23,24,25,26,27)
InChIKeyLWBSHDDCHAKLMQ-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.33
Rot. Bonds3

About 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide (PubChem CID 154858086) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
PubChem CID154858086
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2c1ccc1ccccc12
InChIInChI=1S/C21H15N5O2/c1-12-14-10-9-13-6-2-3-7-15(13)18(14)28-17(12)20(27)24-21-23-19(25-26-21)16-8-4-5-11-22-16/h2-11H,1H3,(H2,23,24,25,26,27)
InChIKeyLWBSHDDCHAKLMQ-UHFFFAOYSA-N
XLogP4.33
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide (CID 154858086) is 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is LWBSHDDCHAKLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-12-14-10-9-13-6-2-3-7-15(13)18(14)28-17(12)20(27)24-21-23-19(25-26-21)16-8-4-5-11-22-16/h2-11H,1H3,(H2,23,24,25,26,27).
What are the key properties of 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 154858086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).