N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride

C21H27Cl3N4O — CID 118742168

IUPACN-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride
SMILESCN(Cc1cccnc1)Cc1cncc2c1CCN(Cc1ccoc1)C2.Cl.Cl.Cl
InChIInChI=1S/C21H24N4O.3ClH/c1-24(12-17-3-2-6-22-9-17)14-19-10-23-11-20-15-25(7-4-21(19)20)13-18-5-8-26-16-18;;;/h2-3,5-6,8-11,16H,4,7,12-15H2,1H3;3*1H
InChIKeyKTZNFKQRKYDSRV-UHFFFAOYSA-N
MW457.83 g/mol
LogP4.53
Rot. Bonds6

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

N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride (PubChem CID 118742168) has the molecular formula C21H27Cl3N4O and a molecular weight of 457.83 g/mol. Its IUPAC name is N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride.

Molecular Properties

Compound NameN-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride
PubChem CID118742168
Molecular FormulaC21H27Cl3N4O
Molecular Weight457.83 g/mol
Exact Mass456.13
IUPAC NameN-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride
SMILESCN(Cc1cccnc1)Cc1cncc2c1CCN(Cc1ccoc1)C2.Cl.Cl.Cl
InChIInChI=1S/C21H24N4O.3ClH/c1-24(12-17-3-2-6-22-9-17)14-19-10-23-11-20-15-25(7-4-21(19)20)13-18-5-8-26-16-18;;;/h2-3,5-6,8-11,16H,4,7,12-15H2,1H3;3*1H
InChIKeyKTZNFKQRKYDSRV-UHFFFAOYSA-N
XLogP4.53
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.83
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381914
3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride
CID 171689891
1-(furan-2-yl)-N-methyl-N-[[7-(2-methylpropyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]methanamine;trihydrochloride
CID 118742159
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998
3-(dimethylamino)-7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97463619
N'-(furan-3-ylmethyl)-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62558554
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
5-(prop-2-enoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;tris(2,2,2-trifluoroacetic acid)
CID 155832693
5-(cyclopropylmethoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 171688737
(3aR,6aS)-4-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97378577
1-[5-[[furan-2-ylmethyl(methyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-2-methylpropan-1-one;dihydrochloride
CID 118742086
7-(furan-3-ylmethyl)-3-pyrimidin-5-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 97389658

Frequently Asked Questions

What is the IUPAC name of N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride?
The IUPAC name of N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride (CID 118742168) is N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride.
What is the SMILES notation for N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride?
The canonical SMILES for N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride is CN(Cc1cccnc1)Cc1cncc2c1CCN(Cc1ccoc1)C2.Cl.Cl.Cl.
What is the InChIKey of N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride?
The InChIKey is KTZNFKQRKYDSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O.3ClH/c1-24(12-17-3-2-6-22-9-17)14-19-10-23-11-20-15-25(7-4-21(19)20)13-18-5-8-26-16-18;;;/h2-3,5-6,8-11,16H,4,7,12-15H2,1H3;3*1H.
What are the key properties of N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride?
N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride has a molecular weight of 457.83 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride is sourced from PubChem (CID 118742168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).