3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide

C17H22N2O7 — CID 18681920

IUPAC3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2C(=O)OC(C)CC(C)C(=O)OC2C)c1O
InChIInChI=1S/C17H22N2O7/c1-8-7-9(2)25-17(23)12(10(3)26-16(8)22)19-15(21)13-14(20)11(24-4)5-6-18-13/h5-6,8-10,12,20H,7H2,1-4H3,(H,19,21)
InChIKeyNULUDYFTIOGTEH-UHFFFAOYSA-N
MW366.37 g/mol
LogP0.80
Rot. Bonds3

About 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide (PubChem CID 18681920) has the molecular formula C17H22N2O7 and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide
PubChem CID18681920
Molecular FormulaC17H22N2O7
Molecular Weight366.37 g/mol
Exact Mass366.14
IUPAC Name3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2C(=O)OC(C)CC(C)C(=O)OC2C)c1O
InChIInChI=1S/C17H22N2O7/c1-8-7-9(2)25-17(23)12(10(3)26-16(8)22)19-15(21)13-14(20)11(24-4)5-6-18-13/h5-6,8-10,12,20H,7H2,1-4H3,(H,19,21)
InChIKeyNULUDYFTIOGTEH-UHFFFAOYSA-N
XLogP0.80
TPSA124.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

3-hydroxy-4-methoxy-N-(5-methyloxolan-3-yl)pyridine-2-carboxamide
CID 18681928
N-cyclobutyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088893
N-(7-benzyl-8-hydroxy-9-methyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 20798330
N-cyclohexyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088897
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
CID 145346550
3-hydroxy-4-methoxy-N-(3-methyl-6,9-dioxo-1,5-dioxonan-7-yl)pyridine-2-carboxamide
CID 18681895
[8-butyl-3-[[2-hydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]benzoyl]amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
CID 18682170
N-[(3S)-8-[(4-fluorophenyl)methyl]-10-methyl-2-oxo-1,5-dioxecan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115057
N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130205259
N-[7-(cyclohexa-1,3-dien-1-ylmethyl)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide;ethane
CID 144822169
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-7-(3-methylbutyl)-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;toluene
CID 144995844
3-hydroxy-4-methoxy-N-(2-phenylcyclopropyl)pyridine-2-carboxamide
CID 142649107

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide (CID 18681920) is 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide is COc1ccnc(C(=O)NC2C(=O)OC(C)CC(C)C(=O)OC2C)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide?
The InChIKey is NULUDYFTIOGTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7/c1-8-7-9(2)25-17(23)12(10(3)26-16(8)22)19-15(21)13-14(20)11(24-4)5-6-18-13/h5-6,8-10,12,20H,7H2,1-4H3,(H,19,21).
What are the key properties of 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-(4,7,9-trimethyl-2,6-dioxo-1,5-dioxonan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 18681920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).