3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile

C17H19N3O — CID 671953

IUPAC3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile
SMILESCOc1ccccc1-c1cc(CC(C)C)nc(C#N)c1N
InChIInChI=1S/C17H19N3O/c1-11(2)8-12-9-14(17(19)15(10-18)20-12)13-6-4-5-7-16(13)21-3/h4-7,9,11H,8,19H2,1-3H3
InChIKeyAZZNQCRYMXDKIZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.41
Rot. Bonds4

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

3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile (PubChem CID 671953) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile
PubChem CID671953
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile
SMILESCOc1ccccc1-c1cc(CC(C)C)nc(C#N)c1N
InChIInChI=1S/C17H19N3O/c1-11(2)8-12-9-14(17(19)15(10-18)20-12)13-6-4-5-7-16(13)21-3/h4-7,9,11H,8,19H2,1-3H3
InChIKeyAZZNQCRYMXDKIZ-UHFFFAOYSA-N
XLogP3.41
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile (CID 671953) is 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile is COc1ccccc1-c1cc(CC(C)C)nc(C#N)c1N.
What is the InChIKey of 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile?
The InChIKey is AZZNQCRYMXDKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11(2)8-12-9-14(17(19)15(10-18)20-12)13-6-4-5-7-16(13)21-3/h4-7,9,11H,8,19H2,1-3H3.
What are the key properties of 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile?
3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methoxyphenyl)-6-(2-methylpropyl)pyridine-2-carbonitrile is sourced from PubChem (CID 671953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).