N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide

C17H16N4O3 — CID 110455791

IUPACN-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2n(n1)CC(c1ccccc1O)CC2)c1ccco1
InChIInChI=1S/C17H16N4O3/c22-13-5-2-1-4-12(13)11-7-8-15-18-17(20-21(15)10-11)19-16(23)14-6-3-9-24-14/h1-6,9,11,22H,7-8,10H2,(H,19,20,23)
InChIKeyQMQITVARZIKOEU-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.56
Rot. Bonds3

About N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide

N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide (PubChem CID 110455791) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide
PubChem CID110455791
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc2n(n1)CC(c1ccccc1O)CC2)c1ccco1
InChIInChI=1S/C17H16N4O3/c22-13-5-2-1-4-12(13)11-7-8-15-18-17(20-21(15)10-11)19-16(23)14-6-3-9-24-14/h1-6,9,11,22H,7-8,10H2,(H,19,20,23)
InChIKeyQMQITVARZIKOEU-UHFFFAOYSA-N
XLogP2.56
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-[(5R,7S)-5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 135817089
N-[(5S,7S)-5-(4-chlorophenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 135910746
N-[(5S,7S)-5,7-bis(4-chlorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 135910759
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
[(1S,8S)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-(furan-2-yl)methanone
CID 129470935
N-[5-(cyclopentylamino)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide
CID 110455604
N-[2-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 856521
N-[(5S,7S)-5-(4-methoxyphenyl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 135560869
N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]furan-2-carboxamide
CID 940577
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(3-hydroxy-2-pyridinyl)furan-2-carboxamide
CID 41177559

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide (CID 110455791) is N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide is O=C(Nc1nc2n(n1)CC(c1ccccc1O)CC2)c1ccco1.
What is the InChIKey of N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide?
The InChIKey is QMQITVARZIKOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-13-5-2-1-4-12(13)11-7-8-15-18-17(20-21(15)10-11)19-16(23)14-6-3-9-24-14/h1-6,9,11,22H,7-8,10H2,(H,19,20,23).
What are the key properties of N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide?
N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 110455791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).