5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile

C15H16N4O — CID 103468700

IUPAC5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCOc1ccc(C(C)Nc2ncc(C#N)cc2N)cc1
InChIInChI=1S/C15H16N4O/c1-10(12-3-5-13(20-2)6-4-12)19-15-14(17)7-11(8-16)9-18-15/h3-7,9-10H,17H2,1-2H3,(H,18,19)
InChIKeySDSNLKNGRJPOMU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.72
Rot. Bonds4

About 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile

5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 103468700) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID103468700
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
SMILESCOc1ccc(C(C)Nc2ncc(C#N)cc2N)cc1
InChIInChI=1S/C15H16N4O/c1-10(12-3-5-13(20-2)6-4-12)19-15-14(17)7-11(8-16)9-18-15/h3-7,9-10H,17H2,1-2H3,(H,18,19)
InChIKeySDSNLKNGRJPOMU-UHFFFAOYSA-N
XLogP2.72
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
CID 103468095
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 103468728
5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 103582571
5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 103467928
4-[1-(3,5-dimethoxyanilino)ethyl]benzonitrile
CID 43192810
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 114406914
5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098
2-[1-(4-cyanophenyl)ethylamino]-4-methoxybenzonitrile
CID 81300170
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 80924119

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile (CID 103468700) is 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile is COc1ccc(C(C)Nc2ncc(C#N)cc2N)cc1.
What is the InChIKey of 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is SDSNLKNGRJPOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10(12-3-5-13(20-2)6-4-12)19-15-14(17)7-11(8-16)9-18-15/h3-7,9-10H,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile?
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).