methyl 5-(1,8-naphthyridin-2-yl)pentanoate

C14H16N2O2 — CID 11447926

IUPACmethyl 5-(1,8-naphthyridin-2-yl)pentanoate
SMILESCOC(=O)CCCCc1ccc2cccnc2n1
InChIInChI=1S/C14H16N2O2/c1-18-13(17)7-3-2-6-12-9-8-11-5-4-10-15-14(11)16-12/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyODIRTESTHMGHKQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.52
Rot. Bonds5

About methyl 5-(1,8-naphthyridin-2-yl)pentanoate

methyl 5-(1,8-naphthyridin-2-yl)pentanoate (PubChem CID 11447926) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 5-(1,8-naphthyridin-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(1,8-naphthyridin-2-yl)pentanoate
PubChem CID11447926
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 5-(1,8-naphthyridin-2-yl)pentanoate
SMILESCOC(=O)CCCCc1ccc2cccnc2n1
InChIInChI=1S/C14H16N2O2/c1-18-13(17)7-3-2-6-12-9-8-11-5-4-10-15-14(11)16-12/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyODIRTESTHMGHKQ-UHFFFAOYSA-N
XLogP2.52
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminopyridine-3-carbaldehyde;methane;methyl 5-(1,8-naphthyridin-2-yl)pentanoate;methyl 6-oxoheptanoate
CID 158633451
ethane;5-(1,8-naphthyridin-2-yl)pentanoic acid
CID 162436158
4-(1,8-naphthyridin-2-yl)butanoic acid
CID 25419194
2-pentyl-1,8-naphthyridine
CID 11481079
ethane;2-methylpyrimidine;9-(1,8-naphthyridin-2-yl)nonanoic acid;propane
CID 142124953
N-[6-[2-(1,8-naphthyridin-2-yl)ethyl]-2-pyridinyl]acetamide
CID 91134508
methyl 6-(5-hydroxy-6-methyl-2-pyridinyl)hexanoate
CID 14312862
2-(methoxymethyl)-1,8-naphthyridine
CID 154147005
methyl 4-(1,8-naphthyridin-2-ylmethyl)benzoate
CID 134944004
methyl 6-pyrimidin-4-ylhexanoate
CID 155251569
1,3-dichlorobenzene;methyl 3-[[2-[3-(1,8-naphthyridin-2-yl)propyl]-2-azaspiro[3.3]heptane-6-carbonyl]amino]propanoate
CID 142348358
methyl 2-[2-(1,8-naphthyridin-2-yl)ethyl]triazole-4-carboxylate
CID 139422154

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,8-naphthyridin-2-yl)pentanoate?
The IUPAC name of methyl 5-(1,8-naphthyridin-2-yl)pentanoate (CID 11447926) is methyl 5-(1,8-naphthyridin-2-yl)pentanoate.
What is the SMILES notation for methyl 5-(1,8-naphthyridin-2-yl)pentanoate?
The canonical SMILES for methyl 5-(1,8-naphthyridin-2-yl)pentanoate is COC(=O)CCCCc1ccc2cccnc2n1.
What is the InChIKey of methyl 5-(1,8-naphthyridin-2-yl)pentanoate?
The InChIKey is ODIRTESTHMGHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-13(17)7-3-2-6-12-9-8-11-5-4-10-15-14(11)16-12/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of methyl 5-(1,8-naphthyridin-2-yl)pentanoate?
methyl 5-(1,8-naphthyridin-2-yl)pentanoate has a molecular weight of 244.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,8-naphthyridin-2-yl)pentanoate is sourced from PubChem (CID 11447926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).