[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate

C28H34N2O8 — CID 123778152

IUPAC[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate
SMILESCOc1ccnc(C(=O)NC2CCCC(Oc3ccccc3)C(OC(=O)C3CCCC3)C(C)OC2=O)c1O
InChIInChI=1S/C28H34N2O8/c1-17-25(38-27(33)18-9-6-7-10-18)22(37-19-11-4-3-5-12-19)14-8-13-20(28(34)36-17)30-26(32)23-24(31)21(35-2)15-16-29-23/h3-5,11-12,15-18,20,22,25,31H,6-10,13-14H2,1-2H3,(H,30,32)
InChIKeyYEOJEKPECSDUGA-UHFFFAOYSA-N
MW526.59 g/mol
LogP3.56
Rot. Bonds7

About [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate

[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate (PubChem CID 123778152) has the molecular formula C28H34N2O8 and a molecular weight of 526.59 g/mol. Its IUPAC name is [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate
PubChem CID123778152
Molecular FormulaC28H34N2O8
Molecular Weight526.59 g/mol
Exact Mass526.23
IUPAC Name[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate
SMILESCOc1ccnc(C(=O)NC2CCCC(Oc3ccccc3)C(OC(=O)C3CCCC3)C(C)OC2=O)c1O
InChIInChI=1S/C28H34N2O8/c1-17-25(38-27(33)18-9-6-7-10-18)22(37-19-11-4-3-5-12-19)14-8-13-20(28(34)36-17)30-26(32)23-24(31)21(35-2)15-16-29-23/h3-5,11-12,15-18,20,22,25,31H,6-10,13-14H2,1-2H3,(H,30,32)
InChIKeyYEOJEKPECSDUGA-UHFFFAOYSA-N
XLogP3.56
TPSA133.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.59
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-hydroxy-4-methoxy-N-[9-methyl-7-(2-methylpropoxy)-2-oxo-8-phenoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123654158
[(2S,4S,8S)-8-[[3-[(2-ethoxyacetyl)oxymethoxy]-4-methoxypyridine-2-carbonyl]amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate
CID 144662495
[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-4-(3-methylbutyl)-9-oxooxonan-3-yl] cyclopentanecarboxylate
CID 123604198
N-[(3S,8R,9S)-8-(4-fluorophenoxy)-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130205259
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-[[(3S,8S,9S,10S)-10-methyl-2-oxo-8,9-diphenoxyoxecan-3-yl]carbamoyl]-3-pyridinyl]oxymethyl acetate
CID 121460363
[4-methoxy-2-[[(3S,7S,8S,9S)-8-methoxy-9-methyl-2-oxo-7-phenoxyoxonan-3-yl]carbamoyl]-3-pyridinyl]oxymethyl acetate
CID 90270762
3-hydroxy-4-methoxy-N-[8-methoxy-9-methyl-7-(2-methylprop-2-enoxy)-2-oxooxonan-3-yl]pyridine-2-carboxamide
CID 123901782
N-[(3S,7R,8R,9S)-7-benzyl-8-cyclopentyl-9-methyl-2-oxooxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118501745
[8-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]-9-hydroxy-2-methyl-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate
CID 123391699
[4-methoxy-2-[(9-methyl-2-oxo-8-pentoxy-7-phenoxyoxonan-3-yl)carbamoyl]-3-pyridinyl]oxymethyl 2-methylpropanoate
CID 123329697
[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate
CID 123163013

Frequently Asked Questions

What is the IUPAC name of [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate?
The IUPAC name of [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate (CID 123778152) is [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate.
What is the SMILES notation for [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate?
The canonical SMILES for [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate is COc1ccnc(C(=O)NC2CCCC(Oc3ccccc3)C(OC(=O)C3CCCC3)C(C)OC2=O)c1O.
What is the InChIKey of [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate?
The InChIKey is YEOJEKPECSDUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O8/c1-17-25(38-27(33)18-9-6-7-10-18)22(37-19-11-4-3-5-12-19)14-8-13-20(28(34)36-17)30-26(32)23-24(31)21(35-2)15-16-29-23/h3-5,11-12,15-18,20,22,25,31H,6-10,13-14H2,1-2H3,(H,30,32).
What are the key properties of [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate?
[8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate has a molecular weight of 526.59 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2-methyl-9-oxo-4-phenoxyoxonan-3-yl] cyclopentanecarboxylate is sourced from PubChem (CID 123778152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).