3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile

C15H14ClN3O — CID 107057390

IUPAC3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile
SMILESCc1cccc(OCCNc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C15H14ClN3O/c1-11-3-2-4-13(9-11)20-8-7-19-15-14(16)12(10-17)5-6-18-15/h2-6,9H,7-8H2,1H3,(H,18,19)
InChIKeyVXFAWNJCUYFEAD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.41
Rot. Bonds5

About 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile

3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile (PubChem CID 107057390) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile
PubChem CID107057390
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile
SMILESCc1cccc(OCCNc2nccc(C#N)c2Cl)c1
InChIInChI=1S/C15H14ClN3O/c1-11-3-2-4-13(9-11)20-8-7-19-15-14(16)12(10-17)5-6-18-15/h2-6,9H,7-8H2,1H3,(H,18,19)
InChIKeyVXFAWNJCUYFEAD-UHFFFAOYSA-N
XLogP3.41
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(3-methylphenoxy)ethylamino]pyridine-2-carbonitrile
CID 62492330
4-bromo-2-[2-(3-methylphenoxy)ethylamino]benzonitrile
CID 114901682
3-[2-(3-methylphenoxy)ethylamino]pyrazine-2-carbothioamide
CID 62683112
3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816750
6-chloro-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-4,5-diamine
CID 55134533
3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
CID 107058420
N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 107056968
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
N-[2-(3-methylphenoxy)ethyl]aniline
CID 54796212
4-amino-3-[2-(3-methylphenoxy)ethylamino]benzonitrile
CID 104711772
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-(2-chloro-5-methylanilino)pyridine-4-carbonitrile
CID 107635144

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile (CID 107057390) is 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile is Cc1cccc(OCCNc2nccc(C#N)c2Cl)c1.
What is the InChIKey of 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile?
The InChIKey is VXFAWNJCUYFEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-11-3-2-4-13(9-11)20-8-7-19-15-14(16)12(10-17)5-6-18-15/h2-6,9H,7-8H2,1H3,(H,18,19).
What are the key properties of 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile?
3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile has a molecular weight of 287.75 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).