4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine

C12H18N4 — CID 23521406

IUPAC4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine
SMILESCNCC(C)CCn1cnc2cccnc21
InChIInChI=1S/C12H18N4/c1-10(8-13-2)5-7-16-9-15-11-4-3-6-14-12(11)16/h3-4,6,9-10,13H,5,7-8H2,1-2H3
InChIKeyQKEFBIMLICRUFW-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.68
Rot. Bonds5

About 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine

4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine (PubChem CID 23521406) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine
PubChem CID23521406
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine
SMILESCNCC(C)CCn1cnc2cccnc21
InChIInChI=1S/C12H18N4/c1-10(8-13-2)5-7-16-9-15-11-4-3-6-14-12(11)16/h3-4,6,9-10,13H,5,7-8H2,1-2H3
InChIKeyQKEFBIMLICRUFW-UHFFFAOYSA-N
XLogP1.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine?
The IUPAC name of 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine (CID 23521406) is 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine?
The canonical SMILES for 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine is CNCC(C)CCn1cnc2cccnc21.
What is the InChIKey of 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine?
The InChIKey is QKEFBIMLICRUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(8-13-2)5-7-16-9-15-11-4-3-6-14-12(11)16/h3-4,6,9-10,13H,5,7-8H2,1-2H3.
What are the key properties of 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine?
4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[4,5-b]pyridin-3-yl-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 23521406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).