2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline

C14H14N4O — CID 103385883

IUPAC2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
SMILESCc1c(N)cccc1Oc1nccc2c1ncn2C
InChIInChI=1S/C14H14N4O/c1-9-10(15)4-3-5-12(9)19-14-13-11(6-7-16-14)18(2)8-17-13/h3-8H,15H2,1-2H3
InChIKeyDUMWUKPSICFPOA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.65
Rot. Bonds2

About 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline

2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline (PubChem CID 103385883) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
PubChem CID103385883
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
SMILESCc1c(N)cccc1Oc1nccc2c1ncn2C
InChIInChI=1S/C14H14N4O/c1-9-10(15)4-3-5-12(9)19-14-13-11(6-7-16-14)18(2)8-17-13/h3-8H,15H2,1-2H3
InChIKeyDUMWUKPSICFPOA-UHFFFAOYSA-N
XLogP2.65
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
CID 103385875
5-ethyl-2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline
CID 103385898
[4-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyphenyl]methanamine
CID 103386242
4-(2-bromo-4-methylphenoxy)-1-methylimidazo[4,5-c]pyridine
CID 103385294
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
1-[(1-methylimidazo[4,5-c]pyridin-4-yl)oxymethyl]cyclopentan-1-amine
CID 103386304
3-[(3-bromo-5-methyl-2-pyridinyl)oxy]-2-methylaniline
CID 105367219
4-methyl-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrazol-3-amine
CID 103386201
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143
5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321408
2-methyl-3-(6-methylpyrimidin-4-yl)oxyaniline
CID 61226507
2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine
CID 103386316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline?
The IUPAC name of 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline (CID 103385883) is 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline.
What is the SMILES notation for 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline?
The canonical SMILES for 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline is Cc1c(N)cccc1Oc1nccc2c1ncn2C.
What is the InChIKey of 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline?
The InChIKey is DUMWUKPSICFPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-10(15)4-3-5-12(9)19-14-13-11(6-7-16-14)18(2)8-17-13/h3-8H,15H2,1-2H3.
What are the key properties of 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline?
2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline has a molecular weight of 254.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylimidazo[4,5-c]pyridin-4-yl)oxyaniline is sourced from PubChem (CID 103385883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).