N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide

C17H16ClFN4O — CID 155538656

IUPACN-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide
SMILESCCN(CCc1nc2ncc(Cl)cc2[nH]1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN4O/c1-2-23(17(24)11-3-5-13(19)6-4-11)8-7-15-21-14-9-12(18)10-20-16(14)22-15/h3-6,9-10H,2,7-8H2,1H3,(H,20,21,22)
InChIKeyUXXVDVIYHORRJX-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide

N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide (PubChem CID 155538656) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide
PubChem CID155538656
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC NameN-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide
SMILESCCN(CCc1nc2ncc(Cl)cc2[nH]1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16ClFN4O/c1-2-23(17(24)11-3-5-13(19)6-4-11)8-7-15-21-14-9-12(18)10-20-16(14)22-15/h3-6,9-10H,2,7-8H2,1H3,(H,20,21,22)
InChIKeyUXXVDVIYHORRJX-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide?
The IUPAC name of N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide (CID 155538656) is N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide?
The canonical SMILES for N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide is CCN(CCc1nc2ncc(Cl)cc2[nH]1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide?
The InChIKey is UXXVDVIYHORRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c1-2-23(17(24)11-3-5-13(19)6-4-11)8-7-15-21-14-9-12(18)10-20-16(14)22-15/h3-6,9-10H,2,7-8H2,1H3,(H,20,21,22).
What are the key properties of N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide?
N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide has a molecular weight of 346.79 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 155538656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).