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

C16H15N3O — CID 748928

IUPAC2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C3CC3)nc(N)c2C#N)cc1
InChIInChI=1S/C16H15N3O/c1-20-12-6-4-10(5-7-12)13-8-15(11-2-3-11)19-16(18)14(13)9-17/h4-8,11H,2-3H2,1H3,(H2,18,19)
InChIKeyCUTZFWMSACSFAB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.09
Rot. Bonds3

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

2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 748928) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID748928
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C3CC3)nc(N)c2C#N)cc1
InChIInChI=1S/C16H15N3O/c1-20-12-6-4-10(5-7-12)13-8-15(11-2-3-11)19-16(18)14(13)9-17/h4-8,11H,2-3H2,1H3,(H2,18,19)
InChIKeyCUTZFWMSACSFAB-UHFFFAOYSA-N
XLogP3.09
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 748928) is 2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(C3CC3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is CUTZFWMSACSFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-12-6-4-10(5-7-12)13-8-15(11-2-3-11)19-16(18)14(13)9-17/h4-8,11H,2-3H2,1H3,(H2,18,19).
What are the key properties of 2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclopropyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 748928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).