5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile

C15H12ClN3 — CID 138653459

IUPAC5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile
SMILESC=C(Nc1ccc(C#N)nc1)c1cc(C)ccc1Cl
InChIInChI=1S/C15H12ClN3/c1-10-3-6-15(16)14(7-10)11(2)19-13-5-4-12(8-17)18-9-13/h3-7,9,19H,2H2,1H3
InChIKeyPWZIMKYYCWPFBY-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.00
Rot. Bonds3

About 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile

5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile (PubChem CID 138653459) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile
PubChem CID138653459
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile
SMILESC=C(Nc1ccc(C#N)nc1)c1cc(C)ccc1Cl
InChIInChI=1S/C15H12ClN3/c1-10-3-6-15(16)14(7-10)11(2)19-13-5-4-12(8-17)18-9-13/h3-7,9,19H,2H2,1H3
InChIKeyPWZIMKYYCWPFBY-UHFFFAOYSA-N
XLogP4.00
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chloro-5-methylphenyl)ethenyl]-4-methylaniline
CID 138651987
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
[4-[1-(2-chloro-5-methylphenyl)ethenylamino]-3-methylphenyl]cyanamide
CID 138653560
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316
5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
CID 115487429
ethane;5-methylpyridine-2-carbonitrile
CID 143546182
1-(5-chloro-2,4-dimethoxyphenyl)-3-(6-cyano-3-pyridinyl)urea
CID 10336896
5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile
CID 115490214
5-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-2-carbonitrile
CID 133347394
5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
CID 115490340
2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 133352459

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile (CID 138653459) is 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile is C=C(Nc1ccc(C#N)nc1)c1cc(C)ccc1Cl.
What is the InChIKey of 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile?
The InChIKey is PWZIMKYYCWPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-10-3-6-15(16)14(7-10)11(2)19-13-5-4-12(8-17)18-9-13/h3-7,9,19H,2H2,1H3.
What are the key properties of 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile?
5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile has a molecular weight of 269.74 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chloro-5-methylphenyl)ethenylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 138653459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).