1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride

C19H27Cl2N3O2 — CID 118742086

IUPAC1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride
SMILESCC(C)C(=O)N1CCc2c(CN(C)Cc3ccco3)cncc2C1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-14(2)19(23)22-7-6-18-15(9-20-10-16(18)12-22)11-21(3)13-17-5-4-8-24-17;;/h4-5,8-10,14H,6-7,11-13H2,1-3H3;2*1H
InChIKeyJXCYXLKDYGUDQK-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.69
Rot. Bonds5

About 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride

1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride (PubChem CID 118742086) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride
PubChem CID118742086
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride
SMILESCC(C)C(=O)N1CCc2c(CN(C)Cc3ccco3)cncc2C1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-14(2)19(23)22-7-6-18-15(9-20-10-16(18)12-22)11-21(3)13-17-5-4-8-24-17;;/h4-5,8-10,14H,6-7,11-13H2,1-3H3;2*1H
InChIKeyJXCYXLKDYGUDQK-UHFFFAOYSA-N
XLogP3.69
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride with MolForge

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Related Compounds

1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride
CID 118742159
1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride
CID 171689999
7-(2-methylpropanoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 110476748
1-[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 131689696
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-morpholin-4-ylmethanone
CID 97389711
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131689721
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(3-fluoro-4-methylphenyl)methanone;dihydrochloride
CID 155841271
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(5-methylpyrazin-2-yl)methanone
CID 124813693
furan-2-yl-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97381988
3-bromo-4-[[furan-2-ylmethyl(methyl)amino]methyl]benzoic acid
CID 102767025
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan-2-ylmethylamino)propan-1-one
CID 655966

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride?
The IUPAC name of 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride (CID 118742086) is 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride.
What is the SMILES notation for 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride?
The canonical SMILES for 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride is CC(C)C(=O)N1CCc2c(CN(C)Cc3ccco3)cncc2C1.Cl.Cl.
What is the InChIKey of 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride?
The InChIKey is JXCYXLKDYGUDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-14(2)19(23)22-7-6-18-15(9-20-10-16(18)12-22)11-21(3)13-17-5-4-8-24-17;;/h4-5,8-10,14H,6-7,11-13H2,1-3H3;2*1H.
What are the key properties of 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride?
1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride is sourced from PubChem (CID 118742086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).