N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

C16H13N5O2 — CID 47057802

IUPACN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H13N5O2/c22-15(11-4-5-13-10(9-11)6-8-23-13)19-16-18-14(20-21-16)12-3-1-2-7-17-12/h1-5,7,9H,6,8H2,(H2,18,19,20,21,22)
InChIKeyLRSFHVRHPRWLAA-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.05
Rot. Bonds3

About N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 47057802) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID47057802
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H13N5O2/c22-15(11-4-5-13-10(9-11)6-8-23-13)19-16-18-14(20-21-16)12-3-1-2-7-17-12/h1-5,7,9H,6,8H2,(H2,18,19,20,21,22)
InChIKeyLRSFHVRHPRWLAA-UHFFFAOYSA-N
XLogP2.05
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 47057802) is N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is LRSFHVRHPRWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c22-15(11-4-5-13-10(9-11)6-8-23-13)19-16-18-14(20-21-16)12-3-1-2-7-17-12/h1-5,7,9H,6,8H2,(H2,18,19,20,21,22).
What are the key properties of N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 47057802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).