N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide

C17H17FN4O — CID 71842734

IUPACN-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide
SMILESCCn1c(CCNC(=O)c2cccc(F)c2)nc2cccnc21
InChIInChI=1S/C17H17FN4O/c1-2-22-15(21-14-7-4-9-19-16(14)22)8-10-20-17(23)12-5-3-6-13(18)11-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,23)
InChIKeyPZUAJZUVJZGREF-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.56
Rot. Bonds5

About N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide

N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide (PubChem CID 71842734) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide
PubChem CID71842734
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide
SMILESCCn1c(CCNC(=O)c2cccc(F)c2)nc2cccnc21
InChIInChI=1S/C17H17FN4O/c1-2-22-15(21-14-7-4-9-19-16(14)22)8-10-20-17(23)12-5-3-6-13(18)11-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,23)
InChIKeyPZUAJZUVJZGREF-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 53143754
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]thiophene-3-carboxamide
CID 53143755
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-2-phenylbutanamide
CID 53143748
2,4-dimethyl-N-[2-(3-propylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 71842715
2-fluoro-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 53143732
2-methoxy-N-[2-(3-propylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 71842723
4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 83278480
N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 83278481
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63758859
2-methoxy-N-[2-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]ethyl]benzamide
CID 50843507
N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methoxybenzamide
CID 53019777
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide (CID 71842734) is N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide is CCn1c(CCNC(=O)c2cccc(F)c2)nc2cccnc21.
What is the InChIKey of N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide?
The InChIKey is PZUAJZUVJZGREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c1-2-22-15(21-14-7-4-9-19-16(14)22)8-10-20-17(23)12-5-3-6-13(18)11-12/h3-7,9,11H,2,8,10H2,1H3,(H,20,23).
What are the key properties of N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide?
N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide has a molecular weight of 312.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 71842734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).