2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile

C15H15N3O — CID 114765717

IUPAC2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCOc1ccc(C)cc1Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C15H15N3O/c1-10-4-5-14(19-3)13(6-10)18-15-8-12(9-16)7-11(2)17-15/h4-8H,1-3H3,(H,17,18)
InChIKeyDKDBXIKUGVNRCK-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile

2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile (PubChem CID 114765717) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
PubChem CID114765717
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile
SMILESCOc1ccc(C)cc1Nc1cc(C#N)cc(C)n1
InChIInChI=1S/C15H15N3O/c1-10-4-5-14(19-3)13(6-10)18-15-8-12(9-16)7-11(2)17-15/h4-8H,1-3H3,(H,17,18)
InChIKeyDKDBXIKUGVNRCK-UHFFFAOYSA-N
XLogP3.32
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-methoxy-5-methylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112930987
2-(5-chloro-2,4-dimethoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114765705
2-[[6-(2-methoxy-5-methylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878544
4-N-(2-methoxy-5-methylphenyl)-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112877102
4-N-(2-methoxy-5-methylphenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927111
4-N,4-N-diethyl-6-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875694
2-N-(4-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930399
2-N-butyl-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908400
3-[[4-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112930338
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704
2-(2-cyano-3-methylanilino)-6-methylpyridine-4-carbonitrile
CID 107805463
2-(5-iodo-2-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114257428

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile (CID 114765717) is 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile is COc1ccc(C)cc1Nc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile?
The InChIKey is DKDBXIKUGVNRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-4-5-14(19-3)13(6-10)18-15-8-12(9-16)7-11(2)17-15/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile?
2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylanilino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114765717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).