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

C22H29F3N2O7 — CID 123222501

IUPACN-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2COCC(CC(F)(F)F)C(OC3CCCC3)C(C)OC2=O)c1O
InChIInChI=1S/C22H29F3N2O7/c1-12-19(34-14-5-3-4-6-14)13(9-22(23,24)25)10-32-11-15(21(30)33-12)27-20(29)17-18(28)16(31-2)7-8-26-17/h7-8,12-15,19,28H,3-6,9-11H2,1-2H3,(H,27,29)
InChIKeyKYGXOEWGKDWCOJ-UHFFFAOYSA-N
MW490.48 g/mol
LogP2.75
Rot. Bonds6

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

N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 123222501) has the molecular formula C22H29F3N2O7 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID123222501
Molecular FormulaC22H29F3N2O7
Molecular Weight490.48 g/mol
Exact Mass490.19
IUPAC NameN-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)NC2COCC(CC(F)(F)F)C(OC3CCCC3)C(C)OC2=O)c1O
InChIInChI=1S/C22H29F3N2O7/c1-12-19(34-14-5-3-4-6-14)13(9-22(23,24)25)10-32-11-15(21(30)33-12)27-20(29)17-18(28)16(31-2)7-8-26-17/h7-8,12-15,19,28H,3-6,9-11H2,1-2H3,(H,27,29)
InChIKeyKYGXOEWGKDWCOJ-UHFFFAOYSA-N
XLogP2.75
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[2-[(7-benzyl-8-cyclohexyloxy-9-methyl-2-oxo-1,5-dioxonan-3-yl)carbamoyl]-4-methoxy-3-pyridinyl]oxymethyl acetate
CID 123569339
[2-[[(3S,7R,8R,9S)-8-cyclopentyl-9-methyl-7-(3-methylbutyl)-2-oxo-1,5-dioxonan-3-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate;N-[(3S,7R,8R,9S)-8-cyclopentyl-9-methyl-7-(3-methylbutyl)-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 158373141
[3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-8-(3-methylbutyl)-4-oxo-1,5-dioxonan-7-yl] cyclopropanecarboxylate
CID 123163013
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-[(3S,8R,9S)-8-benzyl-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 130196633
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-(2-phenylethyl)-1,5-dioxonan-3-yl]pyridine-2-carboxamide
CID 130196636
3-hydroxy-4-methoxy-N-[(3S,8R,9S)-9-methyl-2-oxo-8-propoxy-1,5-dioxonan-3-yl]pyridine-2-carboxamide
CID 130198937
[2-[[8-cyclopentyloxy-9-methyl-2-oxo-7-(4,4,4-trifluorobutoxy)oxonan-3-yl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 123993367
3-hydroxy-4-methoxy-N-[(3S)-9-methyl-2-oxo-1,5-dioxonan-3-yl]pyridine-2-carboxamide;propan-1-ol
CID 145346550
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
N-[7-benzyl-8-[3-(dimethylamino)-3-oxopropoxy]-9-methyl-2-oxo-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 123329307

Frequently Asked Questions

What is the IUPAC name of N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 123222501) is N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)NC2COCC(CC(F)(F)F)C(OC3CCCC3)C(C)OC2=O)c1O.
What is the InChIKey of N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is KYGXOEWGKDWCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O7/c1-12-19(34-14-5-3-4-6-14)13(9-22(23,24)25)10-32-11-15(21(30)33-12)27-20(29)17-18(28)16(31-2)7-8-26-17/h7-8,12-15,19,28H,3-6,9-11H2,1-2H3,(H,27,29).
What are the key properties of N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 490.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-cyclopentyloxy-9-methyl-2-oxo-7-(2,2,2-trifluoroethyl)-1,5-dioxonan-3-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 123222501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).