2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile

C15H14ClN3O — CID 83074583

IUPAC2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
SMILESCOc1ccc(CCNc2cc(C#N)cc(Cl)n2)cc1
InChIInChI=1S/C15H14ClN3O/c1-20-13-4-2-11(3-5-13)6-7-18-15-9-12(10-17)8-14(16)19-15/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyYFARHAXBJIMVJD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.27
Rot. Bonds5

About 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile

2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 83074583) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
PubChem CID83074583
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
SMILESCOc1ccc(CCNc2cc(C#N)cc(Cl)n2)cc1
InChIInChI=1S/C15H14ClN3O/c1-20-13-4-2-11(3-5-13)6-7-18-15-9-12(10-17)8-14(16)19-15/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyYFARHAXBJIMVJD-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83074490
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
4-N-[2-(4-fluorophenyl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874009
N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372201
3-fluoro-4-[2-(4-methoxyphenyl)ethylamino]benzonitrile
CID 43657066
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
4-N-(4-methoxyphenyl)-6-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874321
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile
CID 83074306
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile (CID 83074583) is 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile is COc1ccc(CCNc2cc(C#N)cc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is YFARHAXBJIMVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-20-13-4-2-11(3-5-13)6-7-18-15-9-12(10-17)8-14(16)19-15/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile?
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 287.75 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83074583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).