lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid

C19H29F2LiN2O2-2 — CID 153342598

IUPAClithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid
SMILES[CH2-]C(F)F.[CH2-]CCCc1ccc2c(n1)NCCC2.[CH2-]C[C@H](C)C(=O)O.[Li+]
InChIInChI=1S/C12H17N2.C5H9O2.C2H3F2.Li/c1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;1-3-4(2)5(6)7;1-2(3)4;/h7-8H,1-6,9H2,(H,13,14);4H,1,3H2,2H3,(H,6,7);2H,1H2;/q3*-1;+1/t;4-;;/m.0../s1
InChIKeyDDEIQMXWBPMYCN-HWBXBCIZSA-N
MW362.39 g/mol
LogP1.62
Rot. Bonds5

About lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid

lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid (PubChem CID 153342598) has the molecular formula C19H29F2LiN2O2-2 and a molecular weight of 362.39 g/mol. Its IUPAC name is lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid.

Molecular Properties

Compound Namelithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid
PubChem CID153342598
Molecular FormulaC19H29F2LiN2O2-2
Molecular Weight362.39 g/mol
Exact Mass362.24
IUPAC Namelithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid
SMILES[CH2-]C(F)F.[CH2-]CCCc1ccc2c(n1)NCCC2.[CH2-]C[C@H](C)C(=O)O.[Li+]
InChIInChI=1S/C12H17N2.C5H9O2.C2H3F2.Li/c1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;1-3-4(2)5(6)7;1-2(3)4;/h7-8H,1-6,9H2,(H,13,14);4H,1,3H2,2H3,(H,6,7);2H,1H2;/q3*-1;+1/t;4-;;/m.0../s1
InChIKeyDDEIQMXWBPMYCN-HWBXBCIZSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-(diethylcarbamoylamino)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 146483447
dilithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethoxybenzene;N-ethylethanamine;(2S)-2-(oxomethylamino)butanoic acid
CID 176962369
lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;ethoxybenzene;(2S)-2-[[(2S)-2-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 176963031
2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 146483390
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346
[1-carboxy-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]propyl]azanide;yttrium
CID 171833196
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
4-[2-(fluoromethyl)butyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-formamidobutanoic acid
CID 176962046
7-(9,9-difluoro-5-methylidenenonyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473684
7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473822
4-phenyl-4-[3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 10279630

Frequently Asked Questions

What is the IUPAC name of lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid?
The IUPAC name of lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid (CID 153342598) is lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid.
What is the SMILES notation for lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid?
The canonical SMILES for lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid is [CH2-]C(F)F.[CH2-]CCCc1ccc2c(n1)NCCC2.[CH2-]C[C@H](C)C(=O)O.[Li+].
What is the InChIKey of lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid?
The InChIKey is DDEIQMXWBPMYCN-HWBXBCIZSA-N. The full InChI is InChI=1S/C12H17N2.C5H9O2.C2H3F2.Li/c1-2-3-6-11-8-7-10-5-4-9-13-12(10)14-11;1-3-4(2)5(6)7;1-2(3)4;/h7-8H,1-6,9H2,(H,13,14);4H,1,3H2,2H3,(H,6,7);2H,1H2;/q3*-1;+1/t;4-;;/m.0../s1.
What are the key properties of lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid?
lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid has a molecular weight of 362.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;7-butyl-1,2,3,4-tetrahydro-1,8-naphthyridine;1,1-difluoroethane;(2S)-2-methylbutanoic acid is sourced from PubChem (CID 153342598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).