N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide

C21H28N4O2 — CID 151979415

IUPACN-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(=O)N(n1c(-c2ccco2)nc2c(C)ccnc21)C(C)(C)CC(C)(C)C
InChIInChI=1S/C21H28N4O2/c1-14-10-11-22-19-17(14)23-18(16-9-8-12-27-16)24(19)25(15(2)26)21(6,7)13-20(3,4)5/h8-12H,13H2,1-7H3
InChIKeyUCIXCLZQYNSCJZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.70
Rot. Bonds4

About N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide

N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 151979415) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID151979415
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCC(=O)N(n1c(-c2ccco2)nc2c(C)ccnc21)C(C)(C)CC(C)(C)C
InChIInChI=1S/C21H28N4O2/c1-14-10-11-22-19-17(14)23-18(16-9-8-12-27-16)24(19)25(15(2)26)21(6,7)13-20(3,4)5/h8-12H,13H2,1-7H3
InChIKeyUCIXCLZQYNSCJZ-UHFFFAOYSA-N
XLogP4.70
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide
CID 152560187
N-tert-butyl-2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-amine
CID 150428546
3-[2-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288101
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
N-cyclohexyl-N-[7-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]acetamide;hydrochloride
CID 158482261
3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one
CID 17000250
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 79293507
2-[2-(dimethylamino)-6-(furan-2-yl)purin-9-yl]propan-2-yl acetate
CID 174477594
5-chloro-2-(furan-2-yl)-1-methylimidazole
CID 117259184
8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione
CID 102432253
3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-3-methylbutanamide
CID 106097658
3-[1-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288522

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 151979415) is N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide is CC(=O)N(n1c(-c2ccco2)nc2c(C)ccnc21)C(C)(C)CC(C)(C)C.
What is the InChIKey of N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is UCIXCLZQYNSCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-10-11-22-19-17(14)23-18(16-9-8-12-27-16)24(19)25(15(2)26)21(6,7)13-20(3,4)5/h8-12H,13H2,1-7H3.
What are the key properties of N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 151979415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).