3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile

C16H16ClN3O — CID 56583943

IUPAC3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile
SMILESCOc1ccc(C)cc1CCNc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C16H16ClN3O/c1-11-3-5-15(21-2)12(9-11)7-8-19-16-6-4-13(17)14(10-18)20-16/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeyVUAKNZGYBWQZAM-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.58
Rot. Bonds5

About 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile

3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile (PubChem CID 56583943) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile
PubChem CID56583943
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile
SMILESCOc1ccc(C)cc1CCNc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C16H16ClN3O/c1-11-3-5-15(21-2)12(9-11)7-8-19-16-6-4-13(17)14(10-18)20-16/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeyVUAKNZGYBWQZAM-UHFFFAOYSA-N
XLogP3.58
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 27818248
6-[(2-methoxy-5-methylphenyl)methylamino]-2-methylpyrimidine-4-carbonitrile
CID 115143301
3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133351459
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile
CID 133334072
2-but-3-ynyl-1-methoxy-4-methylbenzene
CID 82363112
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969269
2-[2-(2-methoxy-5-methylphenyl)ethylamino]ethanethiol
CID 115224182
4-chloro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 26458889
N-(hydrazinylmethyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115261072
3-chloro-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-2-carbonitrile
CID 133370751
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200149

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile (CID 56583943) is 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile is COc1ccc(C)cc1CCNc1ccc(Cl)c(C#N)n1.
What is the InChIKey of 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is VUAKNZGYBWQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-11-3-5-15(21-2)12(9-11)7-8-19-16-6-4-13(17)14(10-18)20-16/h3-6,9H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile?
3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 301.78 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 56583943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).