2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile

C14H13N3O — CID 114252744

IUPAC2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile
SMILESCOc1ccc(C)c(Nc2cc(C#N)ccn2)c1
InChIInChI=1S/C14H13N3O/c1-10-3-4-12(18-2)8-13(10)17-14-7-11(9-15)5-6-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyQUDLAEFPNZJUKG-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.01
Rot. Bonds3

About 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile

2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile (PubChem CID 114252744) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile
PubChem CID114252744
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile
SMILESCOc1ccc(C)c(Nc2cc(C#N)ccn2)c1
InChIInChI=1S/C14H13N3O/c1-10-3-4-12(18-2)8-13(10)17-14-7-11(9-15)5-6-16-14/h3-8H,1-2H3,(H,16,17)
InChIKeyQUDLAEFPNZJUKG-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

4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
N-(2,5-dimethoxyphenyl)-4-methylpyridin-2-amine
CID 91756707
2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile
CID 24706091
2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 28968597
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
CID 83266542
4-[3-(5-methoxy-2-methylanilino)quinoxalin-2-yl]benzonitrile
CID 91082248
2-(2-ethoxyanilino)pyridine-4-carbonitrile
CID 24704594
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178333
2-[[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyridine-4-carbonitrile
CID 125142126
2-[2-(4-methoxyphenyl)ethynyl]pyridine-4-carbonitrile
CID 167435441
3-[(4-methoxyphenyl)methylamino]-4-methylbenzonitrile
CID 62103150
3-[(6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 55213185

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile (CID 114252744) is 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile is COc1ccc(C)c(Nc2cc(C#N)ccn2)c1.
What is the InChIKey of 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile?
The InChIKey is QUDLAEFPNZJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-3-4-12(18-2)8-13(10)17-14-7-11(9-15)5-6-16-14/h3-8H,1-2H3,(H,16,17).
What are the key properties of 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile?
2-(5-methoxy-2-methylanilino)pyridine-4-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 2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 114252744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).