[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate

C24H34N2O8 — CID 123163013

IUPAC[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate
SMILESCOc1ccnc(C(=O)NC2COCC(CCC(C)C)C(OC(=O)C3CC3)C(C)OC2=O)c1O
InChIInChI=1S/C24H34N2O8/c1-13(2)5-6-16-11-32-12-17(26-22(28)19-20(27)18(31-4)9-10-25-19)24(30)33-14(3)21(16)34-23(29)15-7-8-15/h9-10,13-17,21,27H,5-8,11-12H2,1-4H3,(H,26,28)
InChIKeyNPIDGXBESBKZGQ-UHFFFAOYSA-N
MW478.54 g/mol
LogP2.23
Rot. Bonds8

About [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate

[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate (PubChem CID 123163013) has the molecular formula C24H34N2O8 and a molecular weight of 478.54 g/mol. Its IUPAC name is [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate
PubChem CID123163013
Molecular FormulaC24H34N2O8
Molecular Weight478.54 g/mol
Exact Mass478.23
IUPAC Name[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate
SMILESCOc1ccnc(C(=O)NC2COCC(CCC(C)C)C(OC(=O)C3CC3)C(C)OC2=O)c1O
InChIInChI=1S/C24H34N2O8/c1-13(2)5-6-16-11-32-12-17(26-22(28)19-20(27)18(31-4)9-10-25-19)24(30)33-14(3)21(16)34-23(29)15-7-8-15/h9-10,13-17,21,27H,5-8,11-12H2,1-4H3,(H,26,28)
InChIKeyNPIDGXBESBKZGQ-UHFFFAOYSA-N
XLogP2.23
TPSA133.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate?
The IUPAC name of [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate (CID 123163013) is [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate.
What is the SMILES notation for [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate?
The canonical SMILES for [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate is COc1ccnc(C(=O)NC2COCC(CCC(C)C)C(OC(=O)C3CC3)C(C)OC2=O)c1O.
What is the InChIKey of [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate?
The InChIKey is NPIDGXBESBKZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O8/c1-13(2)5-6-16-11-32-12-17(26-22(28)19-20(27)18(31-4)9-10-25-19)24(30)33-14(3)21(16)34-23(29)15-7-8-15/h9-10,13-17,21,27H,5-8,11-12H2,1-4H3,(H,26,28).
What are the key properties of [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate?
[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate has a molecular weight of 478.54 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate is sourced from PubChem (CID 123163013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).