3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide

C26H27F2N3O3 — CID 90362967

IUPAC3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide
SMILESCc1ccc2ncc(F)c(CC(O)C34CCC(NC(=O)c5ccc(C)c(F)c5)(CC3)CO4)c2n1
InChIInChI=1S/C26H27F2N3O3/c1-15-3-5-17(11-19(15)27)24(33)31-25-7-9-26(10-8-25,34-14-25)22(32)12-18-20(28)13-29-21-6-4-16(2)30-23(18)21/h3-6,11,13,22,32H,7-10,12,14H2,1-2H3,(H,31,33)
InChIKeyMEYFFPIZICYEPR-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.94
Rot. Bonds5

About 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide

3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide (PubChem CID 90362967) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide
PubChem CID90362967
Molecular FormulaC26H27F2N3O3
Molecular Weight467.52 g/mol
Exact Mass467.20
IUPAC Name3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide
SMILESCc1ccc2ncc(F)c(CC(O)C34CCC(NC(=O)c5ccc(C)c(F)c5)(CC3)CO4)c2n1
InChIInChI=1S/C26H27F2N3O3/c1-15-3-5-17(11-19(15)27)24(33)31-25-7-9-26(10-8-25,34-14-25)22(32)12-18-20(28)13-29-21-6-4-16(2)30-23(18)21/h3-6,11,13,22,32H,7-10,12,14H2,1-2H3,(H,31,33)
InChIKeyMEYFFPIZICYEPR-UHFFFAOYSA-N
XLogP3.94
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide with MolForge

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Related Compounds

[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxypropyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
CID 71152833
N-[(4,5-dimethoxy-2-pyridinyl)methyl]-1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-amine
CID 90362894
1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)ethyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-2-oxabicyclo[2.2.2]octan-4-amine
CID 90362920
tert-butyl N-[1-[2-[6-(dimethylamino)-3-fluoro-1,5-naphthyridin-4-yl]ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamate
CID 71152991
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66166822
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide (CID 90362967) is 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide is Cc1ccc2ncc(F)c(CC(O)C34CCC(NC(=O)c5ccc(C)c(F)c5)(CC3)CO4)c2n1.
What is the InChIKey of 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide?
The InChIKey is MEYFFPIZICYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3/c1-15-3-5-17(11-19(15)27)24(33)31-25-7-9-26(10-8-25,34-14-25)22(32)12-18-20(28)13-29-21-6-4-16(2)30-23(18)21/h3-6,11,13,22,32H,7-10,12,14H2,1-2H3,(H,31,33).
What are the key properties of 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide?
3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide has a molecular weight of 467.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[2-(3-fluoro-6-methyl-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]-4-methylbenzamide is sourced from PubChem (CID 90362967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).