6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile

C19H23N5 — CID 35901850

IUPAC6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCN2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C19H23N5/c20-14-18-6-7-19(22-15-18)21-8-9-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-7,15H,8-13,16H2,(H,21,22)
InChIKeyZDIGQBLTCKFVLL-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.18
Rot. Bonds6

About 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile

6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 35901850) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID35901850
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCN2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C19H23N5/c20-14-18-6-7-19(22-15-18)21-8-9-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-7,15H,8-13,16H2,(H,21,22)
InChIKeyZDIGQBLTCKFVLL-UHFFFAOYSA-N
XLogP2.18
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
CID 56815524
5-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 133372771
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
CID 52545859
6-(3-phenoxypropylamino)pyridine-3-carbonitrile
CID 60706290
6-[[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]amino]pyridine-3-carbonitrile
CID 97216224
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
3-[2-[(5-cyano-2-pyridinyl)amino]ethyl]benzoic acid
CID 63795126
6-[1-(4-benzylmorpholin-2-yl)propylamino]pyridine-3-carbonitrile
CID 133364280
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
6-[2-(2-fluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 24694772
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile (CID 35901850) is 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCN2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is ZDIGQBLTCKFVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c20-14-18-6-7-19(22-15-18)21-8-9-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-7,15H,8-13,16H2,(H,21,22).
What are the key properties of 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile?
6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 321.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-benzylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 35901850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).