2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile

C15H14ClN3 — CID 114766018

IUPAC2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H14ClN3/c1-10-7-12(9-17)8-15(18-10)19-11(2)13-5-3-4-6-14(13)16/h3-8,11H,1-2H3,(H,18,19)
InChIKeyLNKCTAREPHXBHT-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.09
Rot. Bonds3

About 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile

2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 114766018) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
PubChem CID114766018
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NC(C)c2ccccc2Cl)n1
InChIInChI=1S/C15H14ClN3/c1-10-7-12(9-17)8-15(18-10)19-11(2)13-5-3-4-6-14(13)16/h3-8,11H,1-2H3,(H,18,19)
InChIKeyLNKCTAREPHXBHT-UHFFFAOYSA-N
XLogP4.09
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770295
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62483636
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
2-(but-3-yn-2-ylamino)-6-methylpyridine-4-carbonitrile
CID 114766702
(1S)-1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 81375605
1-(2-chlorophenyl)-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]ethanamine
CID 43767368
4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
CID 43202684
2-(2,3-dichloroanilino)-6-methylpyridine-4-carbonitrile
CID 114765804
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
6-[1-(2-chlorophenyl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103471461
3-[[1-(2-chlorophenyl)ethylamino]methyl]benzonitrile
CID 43181376
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562389

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile (CID 114766018) is 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NC(C)c2ccccc2Cl)n1.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is LNKCTAREPHXBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10-7-12(9-17)8-15(18-10)19-11(2)13-5-3-4-6-14(13)16/h3-8,11H,1-2H3,(H,18,19).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 271.75 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).