1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride

C20H29Cl2N3O2 — CID 171689999

IUPAC1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride
SMILESCN(Cc1ccco1)Cc1cncc2c1CCN(CC1CCOC1)C2.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-22(14-19-3-2-7-25-19)12-17-9-21-10-18-13-23(6-4-20(17)18)11-16-5-8-24-15-16;;/h2-3,7,9-10,16H,4-6,8,11-15H2,1H3;2*1H
InChIKeyYNQDPFQQXMYEDT-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.54
Rot. Bonds6

About 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride

1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride (PubChem CID 171689999) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride
PubChem CID171689999
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC Name1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride
SMILESCN(Cc1ccco1)Cc1cncc2c1CCN(CC1CCOC1)C2.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-22(14-19-3-2-7-25-19)12-17-9-21-10-18-13-23(6-4-20(17)18)11-16-5-8-24-15-16;;/h2-3,7,9-10,16H,4-6,8,11-15H2,1H3;2*1H
InChIKeyYNQDPFQQXMYEDT-UHFFFAOYSA-N
XLogP3.54
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride with MolForge

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Launch Full Analysis

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
N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]furan-2-carboxamide
CID 118742120
1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride
CID 118742086
2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine;dihydrochloride
CID 118742141
2-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrimidin-4-amine
CID 118742142
2-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxymethyl]-1,3-thiazole
CID 131658569
N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 118742099
N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride
CID 118742168
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
7-[[(3R)-oxolan-3-yl]methyl]-3-pyridin-3-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463665
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanesulfonamide;dihydrochloride
CID 155849557

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride?
The IUPAC name of 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) is 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride is CN(Cc1ccco1)Cc1cncc2c1CCN(CC1CCOC1)C2.Cl.Cl.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride?
The InChIKey is YNQDPFQQXMYEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.2ClH/c1-22(14-19-3-2-7-25-19)12-17-9-21-10-18-13-23(6-4-20(17)18)11-16-5-8-24-15-16;;/h2-3,7,9-10,16H,4-6,8,11-15H2,1H3;2*1H.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride?
1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride has a molecular weight of 414.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[[7-(oxolan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;dihydrochloride is sourced from PubChem (CID 171689999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).