N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine

C17H28FN3O — CID 176962220

IUPACN-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
SMILESCOC(CF)CNCCCCc1ccc2c(n1)NCCC2C
InChIInChI=1S/C17H28FN3O/c1-13-8-10-20-17-16(13)7-6-14(21-17)5-3-4-9-19-12-15(11-18)22-2/h6-7,13,15,19H,3-5,8-12H2,1-2H3,(H,20,21)
InChIKeyFAIYOCONUQJSQO-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.90
Rot. Bonds9

About N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine

N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine (PubChem CID 176962220) has the molecular formula C17H28FN3O and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
PubChem CID176962220
Molecular FormulaC17H28FN3O
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC NameN-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine
SMILESCOC(CF)CNCCCCc1ccc2c(n1)NCCC2C
InChIInChI=1S/C17H28FN3O/c1-13-8-10-20-17-16(13)7-6-14(21-17)5-3-4-9-19-12-15(11-18)22-2/h6-7,13,15,19H,3-5,8-12H2,1-2H3,(H,20,21)
InChIKeyFAIYOCONUQJSQO-UHFFFAOYSA-N
XLogP2.90
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.90
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

4-methyl-7-pentyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 176962480
3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol
CID 176962409
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
tert-butyl 7-[4-(2-methoxyethylamino)butyl]-4-methyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 176962467
3-ethyl-N-methyl-6-pentylpyridin-2-amine;1-fluoro-2-methoxyhexane
CID 176962147
(2S)-4-[[(2S)-3-fluoro-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(7-fluoroquinazolin-4-yl)amino]butanoic acid
CID 139463893
4-[[(2S)-3-fluoro-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-[(7-fluoro-2-methylquinazolin-4-yl)amino]butanoic acid
CID 155171415
7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 170052630
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
2-[3-[1,1-difluoro-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-[3-(2-methoxypropan-2-yl)-3,4-dihydro-1H-isochromen-5-yl]acetic acid
CID 146425838
1-(cyclopropylmethyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 71590224
7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 146417599

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
The IUPAC name of N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine (CID 176962220) is N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine.
What is the SMILES notation for N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
The canonical SMILES for N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine is COC(CF)CNCCCCc1ccc2c(n1)NCCC2C.
What is the InChIKey of N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
The InChIKey is FAIYOCONUQJSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O/c1-13-8-10-20-17-16(13)7-6-14(21-17)5-3-4-9-19-12-15(11-18)22-2/h6-7,13,15,19H,3-5,8-12H2,1-2H3,(H,20,21).
What are the key properties of N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine?
N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine has a molecular weight of 309.43 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methoxypropyl)-4-(5-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butan-1-amine is sourced from PubChem (CID 176962220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).