3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide

C21H30N2O7 — CID 123901782

IUPAC3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide
SMILESC=C(C)COC1CCCC(NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1OC
InChIInChI=1S/C21H30N2O7/c1-12(2)11-29-16-8-6-7-14(21(26)30-13(3)19(16)28-5)23-20(25)17-18(24)15(27-4)9-10-22-17/h9-10,13-14,16,19,24H,1,6-8,11H2,2-5H3,(H,23,25)
InChIKeyRRRMSZFNHNEKAS-UHFFFAOYSA-N
MW422.48 g/mol
LogP1.99
Rot. Bonds7

About 3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide (PubChem CID 123901782) has the molecular formula C21H30N2O7 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide
PubChem CID123901782
Molecular FormulaC21H30N2O7
Molecular Weight422.48 g/mol
Exact Mass422.21
IUPAC Name3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide
SMILESC=C(C)COC1CCCC(NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1OC
InChIInChI=1S/C21H30N2O7/c1-12(2)11-29-16-8-6-7-14(21(26)30-13(3)19(16)28-5)23-20(25)17-18(24)15(27-4)9-10-22-17/h9-10,13-14,16,19,24H,1,6-8,11H2,2-5H3,(H,23,25)
InChIKeyRRRMSZFNHNEKAS-UHFFFAOYSA-N
XLogP1.99
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-2-[[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]carbamoyl]-3-pyridinyl]oxymethyl 2-methylpropanoate
CID 123252826
3-hydroxy-4-methoxy-N-[9-methyl-7-(2-methylpropoxy)-2-oxo-8-phenoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123654158
N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130205259
[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate
CID 123778152
3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123458063
[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-4-(3-methylbutyl)-9-oxooxonan-3-yl] cyclopentanecarboxylate
CID 123604198
[2-[[(3S,8S,9S,10S)-8-cyclopentyloxy-9-methoxy-10-methyl-2-oxooxecan-3-yl]carbamoyl]-4-methoxy-3-pyridinyl]oxymethyl acetate
CID 121460566
[4-methoxy-2-[[(3S,7S,8S,9S)-8-methoxy-9-methyl-2-oxo-7-phenoxyoxonan-3-yl]carbamoyl]-3-pyridinyl]oxymethyl acetate
CID 90270762
N-[(3S,7R,8R,9S)-7-benzyl-8-cyclopentyl-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118501745
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-propoxy-1,5-dioxonan-3-yl]pyridine-2-carboxamide
CID 130198937
3-hydroxy-4-methoxy-N-[(3S,8S,9S,10S)-8-methoxy-10-methyl-2-oxo-9-phenoxy-1,6-dioxecan-3-yl]pyridine-2-carboxamide
CID 121460465
[4-methoxy-2-[[9-methyl-7,8-bis(2-methylpropoxy)-2-oxooxonan-3-yl]carbamoyl]-3-pyridinyl]oxymethyl 2-methylpropanoate
CID 123534770

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide (CID 123901782) is 3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide is C=C(C)COC1CCCC(NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1OC.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide?
The InChIKey is RRRMSZFNHNEKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O7/c1-12(2)11-29-16-8-6-7-14(21(26)30-13(3)19(16)28-5)23-20(25)17-18(24)15(27-4)9-10-22-17/h9-10,13-14,16,19,24H,1,6-8,11H2,2-5H3,(H,23,25).
What are the key properties of 3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 1.99, 7 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-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 123901782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).