5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide

C16H10ClN5O2 — CID 51098015

IUPAC5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H10ClN5O2/c17-11-3-4-13-10(6-11)7-14(24-13)16(23)21-12-2-1-5-19-15(12)22-9-18-8-20-22/h1-9H,(H,21,23)
InChIKeyAVWAVKGYYAVFKC-UHFFFAOYSA-N
MW339.74 g/mol
LogP3.31
Rot. Bonds3

About 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide

5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide (PubChem CID 51098015) has the molecular formula C16H10ClN5O2 and a molecular weight of 339.74 g/mol. Its IUPAC name is 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
PubChem CID51098015
Molecular FormulaC16H10ClN5O2
Molecular Weight339.74 g/mol
Exact Mass339.05
IUPAC Name5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccnc1-n1cncn1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H10ClN5O2/c17-11-3-4-13-10(6-11)7-14(24-13)16(23)21-12-2-1-5-19-15(12)22-9-18-8-20-22/h1-9H,(H,21,23)
InChIKeyAVWAVKGYYAVFKC-UHFFFAOYSA-N
XLogP3.31
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
6-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridazine-3-carboxamide
CID 61217247
N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 31700856
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
2-(2,4-dichlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 47083831
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
2-bromo-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 103752649
5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9138749
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 61166742
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide (CID 51098015) is 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccnc1-n1cncn1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide?
The InChIKey is AVWAVKGYYAVFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O2/c17-11-3-4-13-10(6-11)7-14(24-13)16(23)21-12-2-1-5-19-15(12)22-9-18-8-20-22/h1-9H,(H,21,23).
What are the key properties of 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide has a molecular weight of 339.74 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51098015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).