(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H13N5O2 — CID 25336972

IUPAC(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C16H13N5O2/c22-16(14-7-11-3-1-2-4-13(11)23-14)20-12-5-6-15(18-8-12)21-10-17-9-19-21/h1-6,8-10,14H,7H2,(H,20,22)/t14-/m1/s1
InChIKeyRPOATAJHYPVXCW-CQSZACIVSA-N
MW307.31 g/mol
LogP1.60
Rot. Bonds3

About (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 25336972) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID25336972
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)[C@H]1Cc2ccccc2O1
InChIInChI=1S/C16H13N5O2/c22-16(14-7-11-3-1-2-4-13(11)23-14)20-12-5-6-15(18-8-12)21-10-17-9-19-21/h1-6,8-10,14H,7H2,(H,20,22)/t14-/m1/s1
InChIKeyRPOATAJHYPVXCW-CQSZACIVSA-N
XLogP1.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

(3S)-1-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydroisochromene-3-carboxamide
CID 30765877
N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51098013
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide
CID 39992452
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
1-oxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,4-dihydroisochromene-3-carboxamide
CID 167781594
(2R)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37007761
6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55561511
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
1-cyclopentyl-5-oxo-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 42945059
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383107
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383104
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 25336972) is (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1Cc2ccccc2O1.
What is the InChIKey of (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RPOATAJHYPVXCW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13N5O2/c22-16(14-7-11-3-1-2-4-13(11)23-14)20-12-5-6-15(18-8-12)21-10-17-9-19-21/h1-6,8-10,14H,7H2,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 25336972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).