4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile

C14H17N7 — CID 166906205

IUPAC4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-n2cc(CN3CCNCC3)cn2)cc1N
InChIInChI=1S/C14H17N7/c15-6-12-8-18-14(5-13(12)16)21-10-11(7-19-21)9-20-3-1-17-2-4-20/h5,7-8,10,17H,1-4,9H2,(H2,16,18)
InChIKeyAROTYRVCOMQHIC-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.13
Rot. Bonds3

About 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile

4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile (PubChem CID 166906205) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile
PubChem CID166906205
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cnc(-n2cc(CN3CCNCC3)cn2)cc1N
InChIInChI=1S/C14H17N7/c15-6-12-8-18-14(5-13(12)16)21-10-11(7-19-21)9-20-3-1-17-2-4-20/h5,7-8,10,17H,1-4,9H2,(H2,16,18)
InChIKeyAROTYRVCOMQHIC-UHFFFAOYSA-N
XLogP0.13
TPSA95.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile (CID 166906205) is 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile is N#Cc1cnc(-n2cc(CN3CCNCC3)cn2)cc1N.
What is the InChIKey of 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is AROTYRVCOMQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c15-6-12-8-18-14(5-13(12)16)21-10-11(7-19-21)9-20-3-1-17-2-4-20/h5,7-8,10,17H,1-4,9H2,(H2,16,18).
What are the key properties of 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile?
4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-(piperazin-1-ylmethyl)pyrazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166906205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).