N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide

C18H22N4O2 — CID 152560187

IUPACN-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCC(=O)N(n1c(-c2ccco2)nc2c(C)cc(C)nc21)C(C)(C)C
InChIInChI=1S/C18H22N4O2/c1-11-10-12(2)19-17-15(11)20-16(14-8-7-9-24-14)21(17)22(13(3)23)18(4,5)6/h7-10H,1-6H3
InChIKeyYPHZYBGFSMGZRG-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.59
Rot. Bonds2

About N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide

N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 152560187) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID152560187
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCC(=O)N(n1c(-c2ccco2)nc2c(C)cc(C)nc21)C(C)(C)C
InChIInChI=1S/C18H22N4O2/c1-11-10-12(2)19-17-15(11)20-16(14-8-7-9-24-14)21(17)22(13(3)23)18(4,5)6/h7-10H,1-6H3
InChIKeyYPHZYBGFSMGZRG-UHFFFAOYSA-N
XLogP3.59
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide (CID 152560187) is N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide is CC(=O)N(n1c(-c2ccco2)nc2c(C)cc(C)nc21)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is YPHZYBGFSMGZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-10-12(2)19-17-15(11)20-16(14-8-7-9-24-14)21(17)22(13(3)23)18(4,5)6/h7-10H,1-6H3.
What are the key properties of N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide?
N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 152560187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).