2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

C17H19N5O — CID 166241593

IUPAC2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(Cc3cccc(O)c3)CC2)nc1N
InChIInChI=1S/C17H19N5O/c18-11-14-4-5-16(20-17(14)19)22-8-6-21(7-9-22)12-13-2-1-3-15(23)10-13/h1-5,10,23H,6-9,12H2,(H2,19,20)
InChIKeyLBCSKBRNVXGYAK-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 166241593) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID166241593
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN(Cc3cccc(O)c3)CC2)nc1N
InChIInChI=1S/C17H19N5O/c18-11-14-4-5-16(20-17(14)19)22-8-6-21(7-9-22)12-13-2-1-3-15(23)10-13/h1-5,10,23H,6-9,12H2,(H2,19,20)
InChIKeyLBCSKBRNVXGYAK-UHFFFAOYSA-N
XLogP1.56
TPSA89.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 166241593) is 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCN(Cc3cccc(O)c3)CC2)nc1N.
What is the InChIKey of 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is LBCSKBRNVXGYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c18-11-14-4-5-16(20-17(14)19)22-8-6-21(7-9-22)12-13-2-1-3-15(23)10-13/h1-5,10,23H,6-9,12H2,(H2,19,20).
What are the key properties of 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 166241593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).