3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine

C16H25F2N3O — CID 175526978

IUPAC3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine
SMILESCOCCNC(C)C(F)(F)CCc1ccc2c(n1)NCCC2
InChIInChI=1S/C16H25F2N3O/c1-12(19-10-11-22-2)16(17,18)8-7-14-6-5-13-4-3-9-20-15(13)21-14/h5-6,12,19H,3-4,7-11H2,1-2H3,(H,20,21)
InChIKeyFGTSSYCDIYOUJP-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.63
Rot. Bonds8

About 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine

3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine (PubChem CID 175526978) has the molecular formula C16H25F2N3O and a molecular weight of 313.39 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine
PubChem CID175526978
Molecular FormulaC16H25F2N3O
Molecular Weight313.39 g/mol
Exact Mass313.20
IUPAC Name3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine
SMILESCOCCNC(C)C(F)(F)CCc1ccc2c(n1)NCCC2
InChIInChI=1S/C16H25F2N3O/c1-12(19-10-11-22-2)16(17,18)8-7-14-6-5-13-4-3-9-20-15(13)21-14/h5-6,12,19H,3-4,7-11H2,1-2H3,(H,20,21)
InChIKeyFGTSSYCDIYOUJP-UHFFFAOYSA-N
XLogP2.63
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methoxyethanamine
CID 176962231
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590344
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
7-(2-cyclobutylethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane;methyl 2-formamido-4-(2-methoxyethylamino)butanoate
CID 176962002
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol
CID 176962409
2-(3,3-difluoro-7-methoxyheptyl)-5,6,7,8-tetrahydroquinoline
CID 158440879
(3R)-1-N-(2-methoxyethyl)-1-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]pentane-1,3-diamine
CID 155277721
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine?
The IUPAC name of 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine (CID 175526978) is 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine.
What is the SMILES notation for 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine?
The canonical SMILES for 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine is COCCNC(C)C(F)(F)CCc1ccc2c(n1)NCCC2.
What is the InChIKey of 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine?
The InChIKey is FGTSSYCDIYOUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O/c1-12(19-10-11-22-2)16(17,18)8-7-14-6-5-13-4-3-9-20-15(13)21-14/h5-6,12,19H,3-4,7-11H2,1-2H3,(H,20,21).
What are the key properties of 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine?
3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine has a molecular weight of 313.39 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-methoxyethyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-2-amine is sourced from PubChem (CID 175526978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).