5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile

C14H13N3O — CID 115487429

IUPAC5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
SMILESCOc1ccc(C)cc1Nc1ccc(C#N)nc1
InChIInChI=1S/C14H13N3O/c1-10-3-6-14(18-2)13(7-10)17-12-5-4-11(8-15)16-9-12/h3-7,9,17H,1-2H3
InChIKeyFOENMIWGKAFAPF-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.01
Rot. Bonds3

About 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile

5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile (PubChem CID 115487429) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
PubChem CID115487429
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile
SMILESCOc1ccc(C)cc1Nc1ccc(C#N)nc1
InChIInChI=1S/C14H13N3O/c1-10-3-6-14(18-2)13(7-10)17-12-5-4-11(8-15)16-9-12/h3-7,9,17H,1-2H3
InChIKeyFOENMIWGKAFAPF-UHFFFAOYSA-N
XLogP3.01
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
N-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109200105
5-(5-cyano-2-methylanilino)pyridine-2-carbonitrile
CID 115487650
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198963
7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile
CID 50768609
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114765717
2,5-dimethoxy-N-(4-methylphenyl)aniline
CID 171920056
2-(3-chloro-4-methoxyanilino)-4-methylbenzonitrile
CID 62302270
ethane;methoxymethane;5-methylpyridine-2-carbonitrile
CID 176990243
N-(2-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198831

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile (CID 115487429) is 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile is COc1ccc(C)cc1Nc1ccc(C#N)nc1.
What is the InChIKey of 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile?
The InChIKey is FOENMIWGKAFAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-3-6-14(18-2)13(7-10)17-12-5-4-11(8-15)16-9-12/h3-7,9,17H,1-2H3.
What are the key properties of 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile?
5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).