ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine

C17H24N2 — CID 156800352

IUPACethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine
SMILESCC.CN1CCCc2c(C#CC3(C)CC3)ccnc21
InChIInChI=1S/C15H18N2.C2H6/c1-15(8-9-15)7-5-12-6-10-16-14-13(12)4-3-11-17(14)2;1-2/h6,10H,3-4,8-9,11H2,1-2H3;1-2H3
InChIKeyGTTNIPOWBJCNSF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.64
Rot. Bonds

About ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine

ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 156800352) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Nameethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID156800352
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Nameethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine
SMILESCC.CN1CCCc2c(C#CC3(C)CC3)ccnc21
InChIInChI=1S/C15H18N2.C2H6/c1-15(8-9-15)7-5-12-6-10-16-14-13(12)4-3-11-17(14)2;1-2/h6,10H,3-4,8-9,11H2,1-2H3;1-2H3
InChIKeyGTTNIPOWBJCNSF-UHFFFAOYSA-N
XLogP3.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine (CID 156800352) is ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine is CC.CN1CCCc2c(C#CC3(C)CC3)ccnc21.
What is the InChIKey of ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is GTTNIPOWBJCNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.C2H6/c1-15(8-9-15)7-5-12-6-10-16-14-13(12)4-3-11-17(14)2;1-2/h6,10H,3-4,8-9,11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine?
ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 256.39 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 156800352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).