3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C22H29N5 — CID 630595

IUPAC3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(NCc3ccccc3)nc(N(CC)CC)c2C1
InChIInChI=1S/C22H29N5/c1-4-26-13-12-18-19(14-23)21(24-15-17-10-8-7-9-11-17)25-22(20(18)16-26)27(5-2)6-3/h7-11H,4-6,12-13,15-16H2,1-3H3,(H,24,25)
InChIKeyWXIAPDQHCQQEEP-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.79
Rot. Bonds7

About 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 630595) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID630595
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(NCc3ccccc3)nc(N(CC)CC)c2C1
InChIInChI=1S/C22H29N5/c1-4-26-13-12-18-19(14-23)21(24-15-17-10-8-7-9-11-17)25-22(20(18)16-26)27(5-2)6-3/h7-11H,4-6,12-13,15-16H2,1-3H3,(H,24,25)
InChIKeyWXIAPDQHCQQEEP-UHFFFAOYSA-N
XLogP3.79
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.79
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
4-{8-[butyl(ethyl)amino]-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-4-yl}-3-methylbenzonitrile
CID 24768340
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-2,4-diamine
CID 80767779
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-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

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 630595) is 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN1CCc2c(C#N)c(NCc3ccccc3)nc(N(CC)CC)c2C1.
What is the InChIKey of 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is WXIAPDQHCQQEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-4-26-13-12-18-19(14-23)21(24-15-17-10-8-7-9-11-17)25-22(20(18)16-26)27(5-2)6-3/h7-11H,4-6,12-13,15-16H2,1-3H3,(H,24,25).
What are the key properties of 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 363.51 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1-(diethylamino)-7-ethyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 630595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).