1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C22H27N5 — CID 658604

IUPAC1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1
InChIInChI=1S/C22H27N5/c1-26-13-10-18-19(14-23)22(27-11-6-3-7-12-27)25-21(20(18)16-26)24-15-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-13,15-16H2,1H3,(H,24,25)
InChIKeyBGTVSCUIMOUGOF-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.54
Rot. Bonds4

About 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 658604) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID658604
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1
InChIInChI=1S/C22H27N5/c1-26-13-10-18-19(14-23)22(27-11-6-3-7-12-27)25-21(20(18)16-26)24-15-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-13,15-16H2,1H3,(H,24,25)
InChIKeyBGTVSCUIMOUGOF-UHFFFAOYSA-N
XLogP3.54
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
2-[4-(1-Benzylpiperidin-4-yl)butylamino]-6-(prop-2-ynylamino)pyridine-3,5-dicarbonitrile
CID 145968525
7-benzyl-1-(benzylamino)-3-(3-hydroxypropylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 657663
3-(Benzylamino)-1-(diethylamino)-7-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
CID 630595
3-(Benzylamino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 749177
3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 797798
2-[4-(1-Benzylpiperidin-4-yl)butylamino]-6-chloropyridine-3,5-dicarbonitrile
CID 72374595
2-[4-(1-Benzylpiperidin-4-yl)butylamino]-6-chloro-4-phenylpyridine-3,5-dicarbonitrile
CID 72376171
2-[3-(1-Benzylpiperidin-4-yl)propylamino]-6-chloropyridine-3,5-dicarbonitrile
CID 72376172
7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 657586
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpyridin-2-amine
CID 22605921
6-benzyl-4-N-butyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 89752423

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 658604) is 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1.
What is the InChIKey of 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is BGTVSCUIMOUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-26-13-10-18-19(14-23)22(27-11-6-3-7-12-27)25-21(20(18)16-26)24-15-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-13,15-16H2,1H3,(H,24,25).
What are the key properties of 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 361.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-7-methyl-3-piperidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 658604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).