5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile

C25H34N6 — CID 171987343

IUPAC5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile
SMILESCN(C)CCNc1nc(N2CCCCC2)c(Cc2ccccc2)c2c1CN(C#N)CC2
InChIInChI=1S/C25H34N6/c1-29(2)16-12-27-24-23-18-30(19-26)15-11-21(23)22(17-20-9-5-3-6-10-20)25(28-24)31-13-7-4-8-14-31/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3,(H,27,28)
InChIKeyJHBBDSHUBRGALS-UHFFFAOYSA-N
MW418.59 g/mol
LogP3.48
Rot. Bonds7

About 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile

5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile (PubChem CID 171987343) has the molecular formula C25H34N6 and a molecular weight of 418.59 g/mol. Its IUPAC name is 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile
PubChem CID171987343
Molecular FormulaC25H34N6
Molecular Weight418.59 g/mol
Exact Mass418.28
IUPAC Name5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile
SMILESCN(C)CCNc1nc(N2CCCCC2)c(Cc2ccccc2)c2c1CN(C#N)CC2
InChIInChI=1S/C25H34N6/c1-29(2)16-12-27-24-23-18-30(19-26)15-11-21(23)22(17-20-9-5-3-6-10-20)25(28-24)31-13-7-4-8-14-31/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3,(H,27,28)
InChIKeyJHBBDSHUBRGALS-UHFFFAOYSA-N
XLogP3.48
TPSA58.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)ethylamino]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4893894
N',N'-dimethyl-N-(4-piperidin-1-ylquinazolin-2-yl)ethane-1,2-diamine
CID 66903519
3-(benzylamino)-7-methyl-1-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 1400740
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870251
2-benzyl-1-[2-(dimethylamino)ethylamino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 989046
1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658457
7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4886736
3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658662
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
5-benzyl-4-chloro-2-methylsulfonyl-6-pyrrolidin-1-ylpyrimidine
CID 58922965
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769896

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile?
The IUPAC name of 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile (CID 171987343) is 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile.
What is the SMILES notation for 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile?
The canonical SMILES for 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile is CN(C)CCNc1nc(N2CCCCC2)c(Cc2ccccc2)c2c1CN(C#N)CC2.
What is the InChIKey of 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile?
The InChIKey is JHBBDSHUBRGALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6/c1-29(2)16-12-27-24-23-18-30(19-26)15-11-21(23)22(17-20-9-5-3-6-10-20)25(28-24)31-13-7-4-8-14-31/h3,5-6,9-10H,4,7-8,11-18H2,1-2H3,(H,27,28).
What are the key properties of 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile?
5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile has a molecular weight of 418.59 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-8-[2-(dimethylamino)ethylamino]-6-piperidin-1-yl-3,4-dihydro-1H-2,7-naphthyridine-2-carbonitrile is sourced from PubChem (CID 171987343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).