6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid

C16H15N5O2 — CID 122047879

IUPAC6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(N2CCN(c3cccc(C(=O)O)n3)CC2)nc1
InChIInChI=1S/C16H15N5O2/c17-10-12-4-5-14(18-11-12)20-6-8-21(9-7-20)15-3-1-2-13(19-15)16(22)23/h1-5,11H,6-9H2,(H,22,23)
InChIKeyCKLYLMYKBATCSW-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.37
Rot. Bonds3

About 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid

6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122047879) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
PubChem CID122047879
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(N2CCN(c3cccc(C(=O)O)n3)CC2)nc1
InChIInChI=1S/C16H15N5O2/c17-10-12-4-5-14(18-11-12)20-6-8-21(9-7-20)15-3-1-2-13(19-15)16(22)23/h1-5,11H,6-9H2,(H,22,23)
InChIKeyCKLYLMYKBATCSW-UHFFFAOYSA-N
XLogP1.37
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053320
5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054893
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56820268
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
6-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645072
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid (CID 122047879) is 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid is N#Cc1ccc(N2CCN(c3cccc(C(=O)O)n3)CC2)nc1.
What is the InChIKey of 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is CKLYLMYKBATCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-10-12-4-5-14(18-11-12)20-6-8-21(9-7-20)15-3-1-2-13(19-15)16(22)23/h1-5,11H,6-9H2,(H,22,23).
What are the key properties of 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid?
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).