4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile

C13H12N4 — CID 83266611

IUPAC4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile
SMILESCc1cnc(Nc2ccc(C#N)cc2)cc1N
InChIInChI=1S/C13H12N4/c1-9-8-16-13(6-12(9)15)17-11-4-2-10(7-14)3-5-11/h2-6,8H,1H3,(H3,15,16,17)
InChIKeyWEZCCFGJHSJNSK-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.59
Rot. Bonds2

About 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile

4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile (PubChem CID 83266611) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile
PubChem CID83266611
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile
SMILESCc1cnc(Nc2ccc(C#N)cc2)cc1N
InChIInChI=1S/C13H12N4/c1-9-8-16-13(6-12(9)15)17-11-4-2-10(7-14)3-5-11/h2-6,8H,1H3,(H3,15,16,17)
InChIKeyWEZCCFGJHSJNSK-UHFFFAOYSA-N
XLogP2.59
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-amino-5-methyl-2-pyridinyl)amino]benzene-1,2-dicarbonitrile
CID 107787129
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
CID 83266542
4-[(4-amino-5-methyl-2-pyridinyl)amino]-2-bromobenzonitrile
CID 112736027
4-[(4-amino-5-methyl-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807041
4-(3-amino-4-methylanilino)benzonitrile
CID 62911619
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266608
2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
CID 83265215
2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 79172818
4-(5-amino-2-methylanilino)benzonitrile
CID 62588662
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
4-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865429
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile?
The IUPAC name of 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile (CID 83266611) is 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile?
The canonical SMILES for 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile is Cc1cnc(Nc2ccc(C#N)cc2)cc1N.
What is the InChIKey of 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile?
The InChIKey is WEZCCFGJHSJNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-8-16-13(6-12(9)15)17-11-4-2-10(7-14)3-5-11/h2-6,8H,1H3,(H3,15,16,17).
What are the key properties of 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile?
4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-methyl-2-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 83266611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).