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

C25H28N6 — CID 657445

IUPAC3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(NCCN)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H28N6/c26-12-13-28-24-22(15-27)21-11-14-31(17-20-9-5-2-6-10-20)18-23(21)25(30-24)29-16-19-7-3-1-4-8-19/h1-10H,11-14,16-18,26H2,(H2,28,29,30)
InChIKeyPJYONHUMXQIGRJ-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.49
Rot. Bonds8

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

3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 657445) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID657445
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(NCCN)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H28N6/c26-12-13-28-24-22(15-27)21-11-14-31(17-20-9-5-2-6-10-20)18-23(21)25(30-24)29-16-19-7-3-1-4-8-19/h1-10H,11-14,16-18,26H2,(H2,28,29,30)
InChIKeyPJYONHUMXQIGRJ-UHFFFAOYSA-N
XLogP3.49
TPSA90.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
7-benzyl-4-N-butyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 89752482
3-(benzylamino)-7-methyl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 564006
2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile
CID 684664

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 657445) is 3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is N#Cc1c(NCCN)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is PJYONHUMXQIGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6/c26-12-13-28-24-22(15-27)21-11-14-31(17-20-9-5-2-6-10-20)18-23(21)25(30-24)29-16-19-7-3-1-4-8-19/h1-10H,11-14,16-18,26H2,(H2,28,29,30).
What are the key properties of 3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 412.54 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-7-benzyl-1-(benzylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 657445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).