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

C22H23N5O2 — CID 167885485

IUPAC3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(C3CCCNC3)nn2C)oc2c1ccc1ccccc12
InChIInChI=1S/C22H23N5O2/c1-13-16-10-9-14-6-3-4-8-17(14)19(16)29-18(13)21(28)25-22-24-20(26-27(22)2)15-7-5-11-23-12-15/h3-4,6,8-10,15,23H,5,7,11-12H2,1-2H3,(H,24,25,26,28)
InChIKeyHDGDLHMFBXSRMW-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.74
Rot. Bonds3

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

3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide (PubChem CID 167885485) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
PubChem CID167885485
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(C3CCCNC3)nn2C)oc2c1ccc1ccccc12
InChIInChI=1S/C22H23N5O2/c1-13-16-10-9-14-6-3-4-8-17(14)19(16)29-18(13)21(28)25-22-24-20(26-27(22)2)15-7-5-11-23-12-15/h3-4,6,8-10,15,23H,5,7,11-12H2,1-2H3,(H,24,25,26,28)
InChIKeyHDGDLHMFBXSRMW-UHFFFAOYSA-N
XLogP3.74
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide (CID 167885485) is 3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc(C3CCCNC3)nn2C)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is HDGDLHMFBXSRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-16-10-9-14-6-3-4-8-17(14)19(16)29-18(13)21(28)25-22-24-20(26-27(22)2)15-7-5-11-23-12-15/h3-4,6,8-10,15,23H,5,7,11-12H2,1-2H3,(H,24,25,26,28).
What are the key properties of 3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 167885485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).