1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride

C19H30Cl3N3O — CID 118742159

IUPAC1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride
SMILESCC(C)CN1CCc2c(CN(C)Cc3ccco3)cncc2C1.Cl.Cl.Cl
InChIInChI=1S/C19H27N3O.3ClH/c1-15(2)11-22-7-6-19-16(9-20-10-17(19)13-22)12-21(3)14-18-5-4-8-23-18;;;/h4-5,8-10,15H,6-7,11-14H2,1-3H3;3*1H
InChIKeyLISPUPNVSMGQHW-UHFFFAOYSA-N
MW422.83 g/mol
LogP4.59
Rot. Bonds6

About 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride

1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride (PubChem CID 118742159) has the molecular formula C19H30Cl3N3O and a molecular weight of 422.83 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride
PubChem CID118742159
Molecular FormulaC19H30Cl3N3O
Molecular Weight422.83 g/mol
Exact Mass421.15
IUPAC Name1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride
SMILESCC(C)CN1CCc2c(CN(C)Cc3ccco3)cncc2C1.Cl.Cl.Cl
InChIInChI=1S/C19H27N3O.3ClH/c1-15(2)11-22-7-6-19-16(9-20-10-17(19)13-22)12-21(3)14-18-5-4-8-23-18;;;/h4-5,8-10,15H,6-7,11-14H2,1-3H3;3*1H
InChIKeyLISPUPNVSMGQHW-UHFFFAOYSA-N
XLogP4.59
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.83
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride (CID 118742159) is 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride is CC(C)CN1CCc2c(CN(C)Cc3ccco3)cncc2C1.Cl.Cl.Cl.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride?
The InChIKey is LISPUPNVSMGQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.3ClH/c1-15(2)11-22-7-6-19-16(9-20-10-17(19)13-22)12-21(3)14-18-5-4-8-23-18;;;/h4-5,8-10,15H,6-7,11-14H2,1-3H3;3*1H.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride?
1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride has a molecular weight of 422.83 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride is sourced from PubChem (CID 118742159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).