3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol

C17H28FN3O — CID 176962409

IUPAC3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol
SMILESCC(C)(O)C(F)CNCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C17H28FN3O/c1-17(2,22)15(18)12-19-10-4-3-7-14-9-8-13-6-5-11-20-16(13)21-14/h8-9,15,19,22H,3-7,10-12H2,1-2H3,(H,20,21)
InChIKeyOQTMCPSVELPLPR-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.46
Rot. Bonds8

About 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol

3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol (PubChem CID 176962409) has the molecular formula C17H28FN3O and a molecular weight of 309.43 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol
PubChem CID176962409
Molecular FormulaC17H28FN3O
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC Name3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol
SMILESCC(C)(O)C(F)CNCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C17H28FN3O/c1-17(2,22)15(18)12-19-10-4-3-7-14-9-8-13-6-5-11-20-16(13)21-14/h8-9,15,19,22H,3-7,10-12H2,1-2H3,(H,20,21)
InChIKeyOQTMCPSVELPLPR-UHFFFAOYSA-N
XLogP2.46
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol with MolForge

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Related Compounds

N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473822
7-(9,9-difluoro-5-methylidenenonyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473684
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
tert-butyl N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
CID 54085210
3,3-dimethyl-2-[2-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]ethyl]butanoic acid;ethane
CID 153402679
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid
CID 153342598
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol?
The IUPAC name of 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol (CID 176962409) is 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol.
What is the SMILES notation for 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol?
The canonical SMILES for 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol is CC(C)(O)C(F)CNCCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol?
The InChIKey is OQTMCPSVELPLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O/c1-17(2,22)15(18)12-19-10-4-3-7-14-9-8-13-6-5-11-20-16(13)21-14/h8-9,15,19,22H,3-7,10-12H2,1-2H3,(H,20,21).
What are the key properties of 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol?
3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol has a molecular weight of 309.43 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butylamino]butan-2-ol is sourced from PubChem (CID 176962409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).