ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid

C15H20N2O2 — CID 162436158

IUPACethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
SMILESCC.O=C(O)CCCCc1ccc2cccnc2n1
InChIInChI=1S/C13H14N2O2.C2H6/c16-12(17)6-2-1-5-11-8-7-10-4-3-9-14-13(10)15-11;1-2/h3-4,7-9H,1-2,5-6H2,(H,16,17);1-2H3
InChIKeyZPWOAOJDIJMCQS-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.45
Rot. Bonds5

About ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid

ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid (PubChem CID 162436158) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid.

Molecular Properties

Compound Nameethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
PubChem CID162436158
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
SMILESCC.O=C(O)CCCCc1ccc2cccnc2n1
InChIInChI=1S/C13H14N2O2.C2H6/c16-12(17)6-2-1-5-11-8-7-10-4-3-9-14-13(10)15-11;1-2/h3-4,7-9H,1-2,5-6H2,(H,16,17);1-2H3
InChIKeyZPWOAOJDIJMCQS-UHFFFAOYSA-N
XLogP3.45
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,8-naphthyridin-2-yl)butanoic acid
CID 25419194
ethane;2-methylpyrimidine;9-(1,8-naphthyridin-2-yl)nonanoic acid;propane
CID 142124953
methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
2-pentyl-1,8-naphthyridine
CID 11481079
N-[6-[2-(1,8-naphthyridin-2-yl)ethyl]-2-pyridinyl]acetamide
CID 91134508
2-(1,8-naphthyridin-2-yl)acetamide
CID 66510813
2-aminopyridine-3-carbaldehyde;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate
CID 158633451
10-(6-methyl-2-pyridinyl)decanoic acid
CID 151281949
ethyl 1-[3-(1,8-naphthyridin-2-yl)propyl]pyrrole-2-carboxylate
CID 175788688
nonanoic acid;quinoline
CID 173189008
ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide
CID 169205451
3-[5-[3-(1,8-naphthyridin-2-yl)propyl]indol-1-yl]hexanoic acid
CID 22570279

Frequently Asked Questions

What is the IUPAC name of ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid?
The IUPAC name of ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid (CID 162436158) is ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid.
What is the SMILES notation for ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid?
The canonical SMILES for ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid is CC.O=C(O)CCCCc1ccc2cccnc2n1.
What is the InChIKey of ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid?
The InChIKey is ZPWOAOJDIJMCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C2H6/c16-12(17)6-2-1-5-11-8-7-10-4-3-9-14-13(10)15-11;1-2/h3-4,7-9H,1-2,5-6H2,(H,16,17);1-2H3.
What are the key properties of ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid?
ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid has a molecular weight of 260.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid is sourced from PubChem (CID 162436158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).