5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile

C14H16N6 — CID 146078102

IUPAC5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCn1ccnc1N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C14H16N6/c1-18-5-4-16-14(18)20-8-6-19(7-9-20)13-3-2-12(10-15)17-11-13/h2-5,11H,6-9H2,1H3
InChIKeyPNDRYIKBGBJLNJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.01
Rot. Bonds2

About 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile

5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 146078102) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID146078102
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCn1ccnc1N1CCN(c2ccc(C#N)nc2)CC1
InChIInChI=1S/C14H16N6/c1-18-5-4-16-14(18)20-8-6-19(7-9-20)13-3-2-12(10-15)17-11-13/h2-5,11H,6-9H2,1H3
InChIKeyPNDRYIKBGBJLNJ-UHFFFAOYSA-N
XLogP1.01
TPSA60.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
5-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 115490476
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 155974846
5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 79839803
5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86793175
5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352615
5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 133352225
5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 104977608
5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839099
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133369865

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 146078102) is 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile is Cn1ccnc1N1CCN(c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is PNDRYIKBGBJLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-18-5-4-16-14(18)20-8-6-19(7-9-20)13-3-2-12(10-15)17-11-13/h2-5,11H,6-9H2,1H3.
What are the key properties of 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile?
5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 146078102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).