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

C28H30N6 — CID 70684889

IUPAC2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C28H30N6/c29-18-24-26(23-11-5-2-6-12-23)25(19-30)28(33-27(24)31)32-15-7-10-21-13-16-34(17-14-21)20-22-8-3-1-4-9-22/h1-6,8-9,11-12,21H,7,10,13-17,20H2,(H3,31,32,33)
InChIKeyRPCOLXBXNDZKDX-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.18
Rot. Bonds8

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

2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 70684889) has the molecular formula C28H30N6 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID70684889
Molecular FormulaC28H30N6
Molecular Weight450.59 g/mol
Exact Mass450.25
IUPAC Name2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C28H30N6/c29-18-24-26(23-11-5-2-6-12-23)25(19-30)28(33-27(24)31)32-15-7-10-21-13-16-34(17-14-21)20-22-8-3-1-4-9-22/h1-6,8-9,11-12,21H,7,10,13-17,20H2,(H3,31,32,33)
InChIKeyRPCOLXBXNDZKDX-UHFFFAOYSA-N
XLogP5.18
TPSA101.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.18
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
2-Benzyl-1-(6-benzyl-2-pyridinyl)guanidine
CID 44533049
3-(benzylamino)-7-methyl-1-(prop-2-enylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 564006

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile (CID 70684889) is 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(NCCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is RPCOLXBXNDZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6/c29-18-24-26(23-11-5-2-6-12-23)25(19-30)28(33-27(24)31)32-15-7-10-21-13-16-34(17-14-21)20-22-8-3-1-4-9-22/h1-6,8-9,11-12,21H,7,10,13-17,20H2,(H3,31,32,33).
What are the key properties of 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 450.59 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(1-benzylpiperidin-4-yl)propylamino]-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 70684889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).