3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline

C14H14N4O — CID 82513959

IUPAC3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline
SMILESCOc1cc(N)ccc1-n1c(C)nc2cccnc21
InChIInChI=1S/C14H14N4O/c1-9-17-11-4-3-7-16-14(11)18(9)12-6-5-10(15)8-13(12)19-2/h3-8H,15H2,1-2H3
InChIKeyKEPQYBNDANQSKR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.32
Rot. Bonds2

About 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline

3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline (PubChem CID 82513959) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline
PubChem CID82513959
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline
SMILESCOc1cc(N)ccc1-n1c(C)nc2cccnc21
InChIInChI=1S/C14H14N4O/c1-9-17-11-4-3-7-16-14(11)18(9)12-6-5-10(15)8-13(12)19-2/h3-8H,15H2,1-2H3
InChIKeyKEPQYBNDANQSKR-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline?
The IUPAC name of 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline (CID 82513959) is 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline?
The canonical SMILES for 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline is COc1cc(N)ccc1-n1c(C)nc2cccnc21.
What is the InChIKey of 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline?
The InChIKey is KEPQYBNDANQSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-17-11-4-3-7-16-14(11)18(9)12-6-5-10(15)8-13(12)19-2/h3-8H,15H2,1-2H3.
What are the key properties of 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline?
3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline has a molecular weight of 254.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)aniline is sourced from PubChem (CID 82513959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).