N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

C25H31FN2O7 — CID 123512707

IUPACN-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCCCOC1COCC(NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1Cc1ccc(F)cc1
InChIInChI=1S/C25H31FN2O7/c1-4-11-34-21-14-33-13-19(28-24(30)22-23(29)20(32-3)9-10-27-22)25(31)35-15(2)18(21)12-16-5-7-17(26)8-6-16/h5-10,15,18-19,21,29H,4,11-14H2,1-3H3,(H,28,30)
InChIKeyZXYBALIBCMJJOU-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.65
Rot. Bonds8

About N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 123512707) has the molecular formula C25H31FN2O7 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID123512707
Molecular FormulaC25H31FN2O7
Molecular Weight490.53 g/mol
Exact Mass490.21
IUPAC NameN-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCCCOC1COCC(NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1Cc1ccc(F)cc1
InChIInChI=1S/C25H31FN2O7/c1-4-11-34-21-14-33-13-19(28-24(30)22-23(29)20(32-3)9-10-27-22)25(31)35-15(2)18(21)12-16-5-7-17(26)8-6-16/h5-10,15,18-19,21,29H,4,11-14H2,1-3H3,(H,28,30)
InChIKeyZXYBALIBCMJJOU-UHFFFAOYSA-N
XLogP2.65
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3S,7R,8R,9S)-7-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118653473
N-[8-benzyl-9-methyl-2-oxo-7-(phenylmethoxymethoxy)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 123279127
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-propoxy-1,5-dioxonan-3-yl]pyridine-2-carboxamide
CID 130198937
N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118652450
N-[(3S)-8-[(4-fluorophenyl)methyl]-10-methyl-2-oxo-1,5-dioxecan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 145115057
N-[(7R,8R,9S)-7-benzyl-9-methyl-8-(2-methylpropyl)-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 134462101
N-[(3S,7R,8R,9S)-7-benzyl-9-methyl-8-(3-methylbutyl)-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118653471
3-hydroxy-4-methoxy-N-[7-[(4-methoxyphenyl)methyl]-9-methyl-2-oxo-8-propoxyoxonan-3-yl]pyridine-2-carboxamide
CID 123458063
N-[(7R,8S,9S)-7-benzyl-9-methyl-8-(2-methylpropoxymethyl)-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 134462067
N-[(3S,7R,8S,9S)-7-benzyl-9-methyl-8-(2-methylpropoxymethyl)-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 118653443
[2-[[8-benzyl-7-(cyclopropylmethoxy)-9-methyl-2-oxo-1,5-dioxonan-3-yl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 123694939
N-[(3S,8R,9S)-8-benzyl-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130196633

Frequently Asked Questions

What is the IUPAC name of N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 123512707) is N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is CCCOC1COCC(NC(=O)c2nccc(OC)c2O)C(=O)OC(C)C1Cc1ccc(F)cc1.
What is the InChIKey of N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is ZXYBALIBCMJJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O7/c1-4-11-34-21-14-33-13-19(28-24(30)22-23(29)20(32-3)9-10-27-22)25(31)35-15(2)18(21)12-16-5-7-17(26)8-6-16/h5-10,15,18-19,21,29H,4,11-14H2,1-3H3,(H,28,30).
What are the key properties of N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[(4-fluorophenyl)methyl]-9-methyl-2-oxo-7-propoxy-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 123512707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).