4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline

C14H14N4 — CID 55230387

IUPAC4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline
SMILESCc1ccnc2nc(Cc3ccc(N)cc3)[nH]c12
InChIInChI=1S/C14H14N4/c1-9-6-7-16-14-13(9)17-12(18-14)8-10-2-4-11(15)5-3-10/h2-7H,8,15H2,1H3,(H,16,17,18)
InChIKeyDAWNLTUXQSTZHY-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.44
Rot. Bonds2

About 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline

4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline (PubChem CID 55230387) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline
PubChem CID55230387
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline
SMILESCc1ccnc2nc(Cc3ccc(N)cc3)[nH]c12
InChIInChI=1S/C14H14N4/c1-9-6-7-16-14-13(9)17-12(18-14)8-10-2-4-11(15)5-3-10/h2-7H,8,15H2,1H3,(H,16,17,18)
InChIKeyDAWNLTUXQSTZHY-UHFFFAOYSA-N
XLogP2.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline?
The IUPAC name of 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline (CID 55230387) is 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline?
The canonical SMILES for 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline is Cc1ccnc2nc(Cc3ccc(N)cc3)[nH]c12.
What is the InChIKey of 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline?
The InChIKey is DAWNLTUXQSTZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-6-7-16-14-13(9)17-12(18-14)8-10-2-4-11(15)5-3-10/h2-7H,8,15H2,1H3,(H,16,17,18).
What are the key properties of 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline?
4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline has a molecular weight of 238.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]aniline is sourced from PubChem (CID 55230387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).