4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide

C16H16N6O2 — CID 142622759

IUPAC4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(O)cn3)CC2)nc1
InChIInChI=1S/C16H16N6O2/c17-9-12-1-4-15(19-10-12)21-5-7-22(8-6-21)16(24)20-14-3-2-13(23)11-18-14/h1-4,10-11,23H,5-8H2,(H,18,20,24)
InChIKeyICJSCNRYDBQNLI-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.41
Rot. Bonds2

About 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide

4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 142622759) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
PubChem CID142622759
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)Nc3ccc(O)cn3)CC2)nc1
InChIInChI=1S/C16H16N6O2/c17-9-12-1-4-15(19-10-12)21-5-7-22(8-6-21)16(24)20-14-3-2-13(23)11-18-14/h1-4,10-11,23H,5-8H2,(H,18,20,24)
InChIKeyICJSCNRYDBQNLI-UHFFFAOYSA-N
XLogP1.41
TPSA105.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
CID 139548010
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 47360080
4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
CID 47069365
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 134051143
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
N-butyl-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 2747242
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 142622847

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide (CID 142622759) is 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide is N#Cc1ccc(N2CCN(C(=O)Nc3ccc(O)cn3)CC2)nc1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is ICJSCNRYDBQNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c17-9-12-1-4-15(19-10-12)21-5-7-22(8-6-21)16(24)20-14-3-2-13(23)11-18-14/h1-4,10-11,23H,5-8H2,(H,18,20,24).
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide?
4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 142622759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).