2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile

C16H18N4O — CID 135584952

IUPAC2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCC(C)C(N)c1cc(-c2ccccc2O)nc(N)c1C#N
InChIInChI=1S/C16H18N4O/c1-9(2)15(18)11-7-13(20-16(19)12(11)8-17)10-5-3-4-6-14(10)21/h3-7,9,15,21H,18H2,1-2H3,(H2,19,20)
InChIKeyVAMRMTSPCUPLLX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.56
Rot. Bonds3

About 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile

2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile (PubChem CID 135584952) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
PubChem CID135584952
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCC(C)C(N)c1cc(-c2ccccc2O)nc(N)c1C#N
InChIInChI=1S/C16H18N4O/c1-9(2)15(18)11-7-13(20-16(19)12(11)8-17)10-5-3-4-6-14(10)21/h3-7,9,15,21H,18H2,1-2H3,(H2,19,20)
InChIKeyVAMRMTSPCUPLLX-UHFFFAOYSA-N
XLogP2.56
TPSA108.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile (CID 135584952) is 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile is CC(C)C(N)c1cc(-c2ccccc2O)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
The InChIKey is VAMRMTSPCUPLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9(2)15(18)11-7-13(20-16(19)12(11)8-17)10-5-3-4-6-14(10)21/h3-7,9,15,21H,18H2,1-2H3,(H2,19,20).
What are the key properties of 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-amino-2-methylpropyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 135584952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).