2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile

C14H12ClN3 — CID 62539424

IUPAC2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H12ClN3/c1-10-5-6-12(8-16)14(18-10)17-9-11-3-2-4-13(15)7-11/h2-7H,9H2,1H3,(H,17,18)
InChIKeyPXWKUTNLJFUEBJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.53
Rot. Bonds3

About 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile

2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile (PubChem CID 62539424) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
PubChem CID62539424
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H12ClN3/c1-10-5-6-12(8-16)14(18-10)17-9-11-3-2-4-13(15)7-11/h2-7H,9H2,1H3,(H,17,18)
InChIKeyPXWKUTNLJFUEBJ-UHFFFAOYSA-N
XLogP3.53
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980322
3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816673
5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]benzonitrile
CID 81138714
3-[(3-chlorophenyl)methylamino]pyrazine-2,5-dicarbonitrile
CID 71540606
2-[(3-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678575
4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80985283
2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
CID 107803129
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131894195
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile (CID 62539424) is 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile?
The InChIKey is PXWKUTNLJFUEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-5-6-12(8-16)14(18-10)17-9-11-3-2-4-13(15)7-11/h2-7H,9H2,1H3,(H,17,18).
What are the key properties of 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile?
2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 62539424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).