3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide

C16H14N4O4 — CID 162758998

IUPAC3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NCc2noc(-c3ccccc3)n2)c1O
InChIInChI=1S/C16H14N4O4/c1-23-11-7-8-17-13(14(11)21)15(22)18-9-12-19-16(24-20-12)10-5-3-2-4-6-10/h2-8,21H,9H2,1H3,(H,18,22)
InChIKeyKETHOPDSZCSLPL-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.78
Rot. Bonds5

About 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 162758998) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID162758998
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NCc2noc(-c3ccccc3)n2)c1O
InChIInChI=1S/C16H14N4O4/c1-23-11-7-8-17-13(14(11)21)15(22)18-9-12-19-16(24-20-12)10-5-3-2-4-6-10/h2-8,21H,9H2,1H3,(H,18,22)
InChIKeyKETHOPDSZCSLPL-UHFFFAOYSA-N
XLogP1.78
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
CID 51098204
N-[(1S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759033
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
2,4-dimethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755960
N-[(1S)-1-(5-benzhydryl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 162759133
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46971545

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide (CID 162758998) is 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide is COc1ccnc(C(=O)NCc2noc(-c3ccccc3)n2)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is KETHOPDSZCSLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-23-11-7-8-17-13(14(11)21)15(22)18-9-12-19-16(24-20-12)10-5-3-2-4-6-10/h2-8,21H,9H2,1H3,(H,18,22).
What are the key properties of 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 162758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).