2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

C12H12N4O — CID 79821436

IUPAC2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(-c3ccoc3)nc2n1
InChIInChI=1S/C12H12N4O/c1-16(2)10-4-3-9-12(14-10)15-11(13-9)8-5-6-17-7-8/h3-7H,1-2H3,(H,13,14,15)
InChIKeyQETJCWQSSVJJRK-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.28
Rot. Bonds2

About 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821436) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821436
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(-c3ccoc3)nc2n1
InChIInChI=1S/C12H12N4O/c1-16(2)10-4-3-9-12(14-10)15-11(13-9)8-5-6-17-7-8/h3-7H,1-2H3,(H,13,14,15)
InChIKeyQETJCWQSSVJJRK-UHFFFAOYSA-N
XLogP2.28
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821436) is 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is CN(C)c1ccc2[nH]c(-c3ccoc3)nc2n1.
What is the InChIKey of 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is QETJCWQSSVJJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16(2)10-4-3-9-12(14-10)15-11(13-9)8-5-6-17-7-8/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 228.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).