N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide

C20H23FN4O2 — CID 44621164

IUPACN-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(F)c3)cnc21
InChIInChI=1S/C20H23FN4O2/c1-3-5-9-22-18(26)13-25-19-17(24(4-2)20(25)27)11-15(12-23-19)14-7-6-8-16(21)10-14/h6-8,10-12H,3-5,9,13H2,1-2H3,(H,22,26)
InChIKeyDNWMPSWHSXOKKO-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.94
Rot. Bonds7

About N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide

N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 44621164) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID44621164
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(F)c3)cnc21
InChIInChI=1S/C20H23FN4O2/c1-3-5-9-22-18(26)13-25-19-17(24(4-2)20(25)27)11-15(12-23-19)14-7-6-8-16(21)10-14/h6-8,10-12H,3-5,9,13H2,1-2H3,(H,22,26)
InChIKeyDNWMPSWHSXOKKO-UHFFFAOYSA-N
XLogP2.94
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Emapunil
CID 6433109
Telcagepant
CID 11319053
2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296
Acetamido deriv. 12
CID 6539894
Acetamido deriv. 13
CID 6539895
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11364735
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11387595
N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylthio)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11432931
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 118174089
2-[5-(4-fluorophenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134134596
3-(1-Methyl-2-Oxo-2,3-Dihydro-1h-Imidazo[4,5-B]pyridin-6-Yl)benzamide
CID 56593154
7-[(1~{s})-1-(4-Fluorophenyl)ethyl]-5,5-Dimethyl-2-(Pyridin-3-Ylamino)pyrrolo[2,3-D]pyrimidin-6-One
CID 127021001

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide (CID 44621164) is N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide is CCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(F)c3)cnc21.
What is the InChIKey of N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is DNWMPSWHSXOKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-3-5-9-22-18(26)13-25-19-17(24(4-2)20(25)27)11-15(12-23-19)14-7-6-8-16(21)10-14/h6-8,10-12H,3-5,9,13H2,1-2H3,(H,22,26).
What are the key properties of N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide?
N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-ethyl-6-(3-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 44621164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).