2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile

C23H28N6 — CID 70695443

IUPAC2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NCCCCC2CCN(Cc3ccccc3)CC2)nc1N
InChIInChI=1S/C23H28N6/c24-15-20-14-21(16-25)23(28-22(20)26)27-11-5-4-6-18-9-12-29(13-10-18)17-19-7-2-1-3-8-19/h1-3,7-8,14,18H,4-6,9-13,17H2,(H3,26,27,28)
InChIKeyLZUQODKACLHUIP-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.90
Rot. Bonds8

About 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile

2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile (PubChem CID 70695443) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile
PubChem CID70695443
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC Name2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NCCCCC2CCN(Cc3ccccc3)CC2)nc1N
InChIInChI=1S/C23H28N6/c24-15-20-14-21(16-25)23(28-22(20)26)27-11-5-4-6-18-9-12-29(13-10-18)17-19-7-2-1-3-8-19/h1-3,7-8,14,18H,4-6,9-13,17H2,(H3,26,27,28)
InChIKeyLZUQODKACLHUIP-UHFFFAOYSA-N
XLogP3.90
TPSA101.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

WZ 811
CID 11565518
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
Thiourea, N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-N'-2-pyridinyl-
CID 3073135
4-[2-Amino-6-(piperazin-1-yl)pyrimidin-4-yl]benzonitrile
CID 25130576
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
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-isopropyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
CID 797798

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile (CID 70695443) is 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(NCCCCC2CCN(Cc3ccccc3)CC2)nc1N.
What is the InChIKey of 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile?
The InChIKey is LZUQODKACLHUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6/c24-15-20-14-21(16-25)23(28-22(20)26)27-11-5-4-6-18-9-12-29(13-10-18)17-19-7-2-1-3-8-19/h1-3,7-8,14,18H,4-6,9-13,17H2,(H3,26,27,28).
What are the key properties of 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile?
2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile has a molecular weight of 388.52 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 70695443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).