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

C29H32N6 — CID 70693341

IUPAC2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C29H32N6/c30-19-25-27(24-12-5-2-6-13-24)26(20-31)29(34-28(25)32)33-16-8-7-9-22-14-17-35(18-15-22)21-23-10-3-1-4-11-23/h1-6,10-13,22H,7-9,14-18,21H2,(H3,32,33,34)
InChIKeyDVFDTYFATLFXHU-UHFFFAOYSA-N
MW464.62 g/mol
LogP5.57
Rot. Bonds9

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

2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 70693341) has the molecular formula C29H32N6 and a molecular weight of 464.62 g/mol. Its IUPAC name is 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID70693341
Molecular FormulaC29H32N6
Molecular Weight464.62 g/mol
Exact Mass464.27
IUPAC Name2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C29H32N6/c30-19-25-27(24-12-5-2-6-13-24)26(20-31)29(34-28(25)32)33-16-8-7-9-22-14-17-35(18-15-22)21-23-10-3-1-4-11-23/h1-6,10-13,22H,7-9,14-18,21H2,(H3,32,33,34)
InChIKeyDVFDTYFATLFXHU-UHFFFAOYSA-N
XLogP5.57
TPSA101.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.62
LogP ≤ 55.57
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

3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
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
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 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile (CID 70693341) is 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is DVFDTYFATLFXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6/c30-19-25-27(24-12-5-2-6-13-24)26(20-31)29(34-28(25)32)33-16-8-7-9-22-14-17-35(18-15-22)21-23-10-3-1-4-11-23/h1-6,10-13,22H,7-9,14-18,21H2,(H3,32,33,34).
What are the key properties of 2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-[4-(1-benzylpiperidin-4-yl)butylamino]-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 464.62 g/mol, XLogP of 5.57, 9 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]-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 70693341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).