2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide

C14H19ClN4O — CID 103112358

IUPAC2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C14H19ClN4O/c1-4-18(3)14(20)10(2)19-12(7-8-15)17-11-6-5-9-16-13(11)19/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyFFQNZSYQCOHSNO-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.25
Rot. Bonds5

About 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide

2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide (PubChem CID 103112358) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide
PubChem CID103112358
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1c(CCCl)nc2cccnc21
InChIInChI=1S/C14H19ClN4O/c1-4-18(3)14(20)10(2)19-12(7-8-15)17-11-6-5-9-16-13(11)19/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyFFQNZSYQCOHSNO-UHFFFAOYSA-N
XLogP2.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethylpropanamide
CID 79295243
2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112366
2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112311
2-(2-chloroethyl)-3-(3-methylpentan-2-yl)imidazo[4,5-b]pyridine
CID 79294516
2-(2-chloroethyl)-3-[1-(5-methylfuran-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 79294520
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 79294885
2-(2-chloroethyl)-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79273103
3-[1-(3-bromophenyl)ethyl]-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 79273400
(2S)-2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 14390407
3-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]propanamide
CID 79294938
2-(2-chloroethyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79295045
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide (CID 103112358) is 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)n1c(CCCl)nc2cccnc21.
What is the InChIKey of 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide?
The InChIKey is FFQNZSYQCOHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-4-18(3)14(20)10(2)19-12(7-8-15)17-11-6-5-9-16-13(11)19/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide?
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide has a molecular weight of 294.79 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103112358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).