3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile

C15H16N4O — CID 82816871

IUPAC3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
SMILESCOc1ccc(CCNc2nccc(C#N)c2N)cc1
InChIInChI=1S/C15H16N4O/c1-20-13-4-2-11(3-5-13)6-8-18-15-14(17)12(10-16)7-9-19-15/h2-5,7,9H,6,8,17H2,1H3,(H,18,19)
InChIKeyDPSZMVGKTUSYLE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.20
Rot. Bonds5

About 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile

3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 82816871) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
PubChem CID82816871
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
SMILESCOc1ccc(CCNc2nccc(C#N)c2N)cc1
InChIInChI=1S/C15H16N4O/c1-20-13-4-2-11(3-5-13)6-8-18-15-14(17)12(10-16)7-9-19-15/h2-5,7,9H,6,8,17H2,1H3,(H,18,19)
InChIKeyDPSZMVGKTUSYLE-UHFFFAOYSA-N
XLogP2.20
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816750
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731
3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
CID 82816791
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
CID 82816718
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
CID 82817077
3-amino-2-[4-(dimethylamino)butylamino]pyridine-4-carbonitrile
CID 82817310
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
3-amino-2-(2,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 82817759
3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 114097597

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile (CID 82816871) is 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile is COc1ccc(CCNc2nccc(C#N)c2N)cc1.
What is the InChIKey of 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is DPSZMVGKTUSYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-20-13-4-2-11(3-5-13)6-8-18-15-14(17)12(10-16)7-9-19-15/h2-5,7,9H,6,8,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile?
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82816871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).