4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile

C13H11ClN4 — CID 114003341

IUPAC4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
SMILESCc1nc(Nc2ccc(C#N)cc2Cl)ccc1N
InChIInChI=1S/C13H11ClN4/c1-8-11(16)3-5-13(17-8)18-12-4-2-9(7-15)6-10(12)14/h2-6H,16H2,1H3,(H,17,18)
InChIKeyAKZBFLWTIFMCQD-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.24
Rot. Bonds2

About 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile

4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile (PubChem CID 114003341) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
PubChem CID114003341
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
SMILESCc1nc(Nc2ccc(C#N)cc2Cl)ccc1N
InChIInChI=1S/C13H11ClN4/c1-8-11(16)3-5-13(17-8)18-12-4-2-9(7-15)6-10(12)14/h2-6H,16H2,1H3,(H,17,18)
InChIKeyAKZBFLWTIFMCQD-UHFFFAOYSA-N
XLogP3.24
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807065
4-[(4-amino-5-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807041
3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621
3-chloro-4-[(2-chloropyrimidin-4-yl)amino]benzonitrile
CID 107809620
3-chloro-4-[(6-fluoro-2-pyridinyl)amino]benzonitrile
CID 107809583
4-[(6-bromo-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107809610
4-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003619
4-(2-amino-4-fluoroanilino)-3-chlorobenzonitrile
CID 107806975
3-chloro-4-(2-chloro-3-methylanilino)benzonitrile
CID 114251227
6-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808831
4-[(3-amino-5-bromo-4-pyridinyl)amino]-3-chlorobenzonitrile
CID 114003347
4-[(5-amino-6-ethoxy-2-pyridinyl)amino]-3-bromobenzonitrile
CID 107787248

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile?
The IUPAC name of 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile (CID 114003341) is 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile.
What is the SMILES notation for 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile?
The canonical SMILES for 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile is Cc1nc(Nc2ccc(C#N)cc2Cl)ccc1N.
What is the InChIKey of 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile?
The InChIKey is AKZBFLWTIFMCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-11(16)3-5-13(17-8)18-12-4-2-9(7-15)6-10(12)14/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile?
4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile is sourced from PubChem (CID 114003341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).