2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine

C14H14N4 — CID 63794425

IUPAC2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C14H14N4/c15-7-6-10-3-1-4-11(9-10)13-17-12-5-2-8-16-14(12)18-13/h1-5,8-9H,6-7,15H2,(H,16,17,18)
InChIKeyJYRSJBVVEKAIHN-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.13
Rot. Bonds3

About 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine

2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine (PubChem CID 63794425) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
PubChem CID63794425
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
SMILESNCCc1cccc(-c2nc3ncccc3[nH]2)c1
InChIInChI=1S/C14H14N4/c15-7-6-10-3-1-4-11(9-10)13-17-12-5-2-8-16-14(12)18-13/h1-5,8-9H,6-7,15H2,(H,16,17,18)
InChIKeyJYRSJBVVEKAIHN-UHFFFAOYSA-N
XLogP2.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine (CID 63794425) is 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine is NCCc1cccc(-c2nc3ncccc3[nH]2)c1.
What is the InChIKey of 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine?
The InChIKey is JYRSJBVVEKAIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-7-6-10-3-1-4-11(9-10)13-17-12-5-2-8-16-14(12)18-13/h1-5,8-9H,6-7,15H2,(H,16,17,18).
What are the key properties of 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine?
2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 63794425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).