3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride

C19H24Cl2N4 — CID 171689891

IUPAC3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride
SMILESCN(C)Cc1cncc2c1CCN(Cc1cccc(C#N)c1)C2.Cl.Cl
InChIInChI=1S/C19H22N4.2ClH/c1-22(2)13-17-10-21-11-18-14-23(7-6-19(17)18)12-16-5-3-4-15(8-16)9-20;;/h3-5,8,10-11H,6-7,12-14H2,1-2H3;2*1H
InChIKeyMZJWWWRNVPFPBA-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.42
Rot. Bonds4

About 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride

3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride (PubChem CID 171689891) has the molecular formula C19H24Cl2N4 and a molecular weight of 379.34 g/mol. Its IUPAC name is 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride.

Molecular Properties

Compound Name3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride
PubChem CID171689891
Molecular FormulaC19H24Cl2N4
Molecular Weight379.34 g/mol
Exact Mass378.14
IUPAC Name3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride
SMILESCN(C)Cc1cncc2c1CCN(Cc1cccc(C#N)c1)C2.Cl.Cl
InChIInChI=1S/C19H22N4.2ClH/c1-22(2)13-17-10-21-11-18-14-23(7-6-19(17)18)12-16-5-3-4-15(8-16)9-20;;/h3-5,8,10-11H,6-7,12-14H2,1-2H3;2*1H
InChIKeyMZJWWWRNVPFPBA-UHFFFAOYSA-N
XLogP3.42
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride with MolForge

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Related Compounds

3-[(5-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 70906125
N-[[7-(furan-3-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine;trihydrochloride
CID 118742168
3-[(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 114522523
2-benzyl-5-isocyanato-3,4-dihydro-1H-2,7-naphthyridine
CID 83920247
5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381914
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
3-[(4-oxo-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 135919056
3-[[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]benzonitrile
CID 97467324
3-[(2-benzyl-3-oxo-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methyl]benzonitrile
CID 53373509
3-[(2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methyl]benzonitrile
CID 82098398
3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzonitrile
CID 58395433
3-[[2-(4-aminophenyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl]methyl]benzonitrile
CID 135865755

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride?
The IUPAC name of 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride (CID 171689891) is 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride.
What is the SMILES notation for 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride?
The canonical SMILES for 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride is CN(C)Cc1cncc2c1CCN(Cc1cccc(C#N)c1)C2.Cl.Cl.
What is the InChIKey of 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride?
The InChIKey is MZJWWWRNVPFPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4.2ClH/c1-22(2)13-17-10-21-11-18-14-23(7-6-19(17)18)12-16-5-3-4-15(8-16)9-20;;/h3-5,8,10-11H,6-7,12-14H2,1-2H3;2*1H.
What are the key properties of 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride?
3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride has a molecular weight of 379.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(dimethylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methyl]benzonitrile;dihydrochloride is sourced from PubChem (CID 171689891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).