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

C27H28N6 — CID 70695442

IUPAC2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C27H28N6/c28-17-23-25(22-9-5-2-6-10-22)24(18-29)27(32-26(23)30)31-14-11-20-12-15-33(16-13-20)19-21-7-3-1-4-8-21/h1-10,20H,11-16,19H2,(H3,30,31,32)
InChIKeyXDYVKYBTRLGBBU-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.79
Rot. Bonds7

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

2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 70695442) has the molecular formula C27H28N6 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID70695442
Molecular FormulaC27H28N6
Molecular Weight436.56 g/mol
Exact Mass436.24
IUPAC Name2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C27H28N6/c28-17-23-25(22-9-5-2-6-10-22)24(18-29)27(32-26(23)30)31-14-11-20-12-15-33(16-13-20)19-21-7-3-1-4-8-21/h1-10,20H,11-16,19H2,(H3,30,31,32)
InChIKeyXDYVKYBTRLGBBU-UHFFFAOYSA-N
XLogP4.79
TPSA101.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-isopropyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
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-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile (CID 70695442) is 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(NCCC2CCN(Cc3ccccc3)CC2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is XDYVKYBTRLGBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6/c28-17-23-25(22-9-5-2-6-10-22)24(18-29)27(32-26(23)30)31-14-11-20-12-15-33(16-13-20)19-21-7-3-1-4-8-21/h1-10,20H,11-16,19H2,(H3,30,31,32).
What are the key properties of 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 436.56 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 70695442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).