5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile

C16H17N5 — CID 133369865

IUPAC5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C16H17N5/c17-10-15-3-4-16(12-19-15)21-8-6-20(7-9-21)13-14-2-1-5-18-11-14/h1-5,11-12H,6-9,13H2
InChIKeyMHHDWJSOKGHCEE-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.67
Rot. Bonds3

About 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile

5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 133369865) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID133369865
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C16H17N5/c17-10-15-3-4-16(12-19-15)21-8-6-20(7-9-21)13-14-2-1-5-18-11-14/h1-5,11-12H,6-9,13H2
InChIKeyMHHDWJSOKGHCEE-UHFFFAOYSA-N
XLogP1.67
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290515
N-benzyl-2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]acetamide
CID 133369980
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
5-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 171334133
5-[4-[(2-ethyl-8-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]pyridine-2-carbonitrile
CID 175929484
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
1-[4-(4-methylphenyl)sulfanyloxyphenyl]-4-(pyridin-3-ylmethyl)piperazine
CID 145113230
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 38506453
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile (CID 133369865) is 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCN(Cc3cccnc3)CC2)cn1.
What is the InChIKey of 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is MHHDWJSOKGHCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-10-15-3-4-16(12-19-15)21-8-6-20(7-9-21)13-14-2-1-5-18-11-14/h1-5,11-12H,6-9,13H2.
What are the key properties of 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile?
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133369865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).