6-(4-methylanilino)pyridine-2-carbonitrile

C13H11N3 — CID 64593514

IUPAC6-(4-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C13H11N3/c1-10-5-7-11(8-6-10)15-13-4-2-3-12(9-14)16-13/h2-8H,1H3,(H,15,16)
InChIKeyAZEZTWILRWBORQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.01
Rot. Bonds2

About 6-(4-methylanilino)pyridine-2-carbonitrile

6-(4-methylanilino)pyridine-2-carbonitrile (PubChem CID 64593514) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-(4-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(4-methylanilino)pyridine-2-carbonitrile
PubChem CID64593514
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name6-(4-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccc(Nc2cccc(C#N)n2)cc1
InChIInChI=1S/C13H11N3/c1-10-5-7-11(8-6-10)15-13-4-2-3-12(9-14)16-13/h2-8H,1H3,(H,15,16)
InChIKeyAZEZTWILRWBORQ-UHFFFAOYSA-N
XLogP3.01
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
CID 133392173
6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile
CID 133392490
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
6-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 64590247
6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
CID 133392258
6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133391829
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
methyl 4-[4-[(6-cyano-2-pyridinyl)amino]phenoxy]butanoate
CID 133392532

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(4-methylanilino)pyridine-2-carbonitrile (CID 64593514) is 6-(4-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(4-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(4-methylanilino)pyridine-2-carbonitrile is Cc1ccc(Nc2cccc(C#N)n2)cc1.
What is the InChIKey of 6-(4-methylanilino)pyridine-2-carbonitrile?
The InChIKey is AZEZTWILRWBORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-5-7-11(8-6-10)15-13-4-2-3-12(9-14)16-13/h2-8H,1H3,(H,15,16).
What are the key properties of 6-(4-methylanilino)pyridine-2-carbonitrile?
6-(4-methylanilino)pyridine-2-carbonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 64593514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).