N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H20N4O2 — CID 136580054

IUPACN-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)c1ccc2nncn2c1
InChIInChI=1S/C18H20N4O2/c1-11-6-13-14(7-18(2,3)8-15(13)24-11)20-17(23)12-4-5-16-21-19-10-22(16)9-12/h4-6,9-10,14H,7-8H2,1-3H3,(H,20,23)
InChIKeyVWCDVMZCVPLPPE-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.07
Rot. Bonds2

About N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 136580054) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID136580054
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)c1ccc2nncn2c1
InChIInChI=1S/C18H20N4O2/c1-11-6-13-14(7-18(2,3)8-15(13)24-11)20-17(23)12-4-5-16-21-19-10-22(16)9-12/h4-6,9-10,14H,7-8H2,1-3H3,(H,20,23)
InChIKeyVWCDVMZCVPLPPE-UHFFFAOYSA-N
XLogP3.07
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 136580054) is N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)c1ccc2nncn2c1.
What is the InChIKey of N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is VWCDVMZCVPLPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-6-13-14(7-18(2,3)8-15(13)24-11)20-17(23)12-4-5-16-21-19-10-22(16)9-12/h4-6,9-10,14H,7-8H2,1-3H3,(H,20,23).
What are the key properties of N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 136580054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).