3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide

C18H22N2O4 — CID 142045920

IUPAC3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide
SMILESC=C1C(C)=C2OC2C(C)(C)CC1NC(=O)c1nccc(OC)c1O
InChIInChI=1S/C18H22N2O4/c1-9-10(2)15-16(24-15)18(3,4)8-11(9)20-17(22)13-14(21)12(23-5)6-7-19-13/h6-7,11,16,21H,1,8H2,2-5H3,(H,20,22)
InChIKeyFWWACTBJDVGORV-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.55
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide (PubChem CID 142045920) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide
PubChem CID142045920
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide
SMILESC=C1C(C)=C2OC2C(C)(C)CC1NC(=O)c1nccc(OC)c1O
InChIInChI=1S/C18H22N2O4/c1-9-10(2)15-16(24-15)18(3,4)8-11(9)20-17(22)13-14(21)12(23-5)6-7-19-13/h6-7,11,16,21H,1,8H2,2-5H3,(H,20,22)
InChIKeyFWWACTBJDVGORV-UHFFFAOYSA-N
XLogP2.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-cyclobutyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088893
[4-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,2,6,6-tetramethylcyclohexyl] 3-methylbutanoate
CID 18681983
N-cyclohexyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088897
3-hydroxy-4-methoxy-N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridine-2-carboxamide
CID 18681858
3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide
CID 18681928
3-hydroxy-4-methoxy-N-(3-methyl-6,9-dioxo-1,5-dioxonan-7-yl)pyridine-2-carboxamide
CID 18681895
3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide
CID 18681920
3-hydroxy-4-methoxy-N-(2-phenylcyclopropyl)pyridine-2-carboxamide
CID 142649107
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
N-(2-benzyl-2,6-dimethyloxan-4-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 18682229
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;methyl 3-hydroxypropanoate
CID 145346574
N-(7-benzyl-8-hydroxy-9-methyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 20798330

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide (CID 142045920) is 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide is C=C1C(C)=C2OC2C(C)(C)CC1NC(=O)c1nccc(OC)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide?
The InChIKey is FWWACTBJDVGORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-9-10(2)15-16(24-15)18(3,4)8-11(9)20-17(22)13-14(21)12(23-5)6-7-19-13/h6-7,11,16,21H,1,8H2,2-5H3,(H,20,22).
What are the key properties of 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(2,6,6-trimethyl-3-methylidene-8-oxabicyclo[5.1.0]oct-1-en-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 142045920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).