3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide

C14H18Cl2N4O — CID 106278900

IUPAC3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)Cn1c(CCCl)nc2cc(Cl)cnc21
InChIInChI=1S/C14H18Cl2N4O/c1-14(2,13(21)17-3)8-20-11(4-5-15)19-10-6-9(16)7-18-12(10)20/h6-7H,4-5,8H2,1-3H3,(H,17,21)
InChIKeyCSUZBDITVZHCJR-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.64
Rot. Bonds5

About 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide

3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide (PubChem CID 106278900) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide
PubChem CID106278900
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)Cn1c(CCCl)nc2cc(Cl)cnc21
InChIInChI=1S/C14H18Cl2N4O/c1-14(2,13(21)17-3)8-20-11(4-5-15)19-10-6-9(16)7-18-12(10)20/h6-7H,4-5,8H2,1-3H3,(H,17,21)
InChIKeyCSUZBDITVZHCJR-UHFFFAOYSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-3-methylbutanamide
CID 106097670
2-(2-chloroethyl)-3-(2,2-dimethylbutyl)-6-methylimidazo[4,5-b]pyridine
CID 103463014
3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106407016
1-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746861
3-[2-[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83115515
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 79301647
2-(chloromethyl)-3-(2,2-dimethylpropyl)-6-methylimidazo[4,5-b]pyridine
CID 79301222
3-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,2,2-trimethylpropanamide
CID 106278961
3-(3-bromo-2-methylphenyl)-6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 107637698
ethyl 2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]acetate
CID 79302535
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide (CID 106278900) is 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)Cn1c(CCCl)nc2cc(Cl)cnc21.
What is the InChIKey of 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide?
The InChIKey is CSUZBDITVZHCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4O/c1-14(2,13(21)17-3)8-20-11(4-5-15)19-10-6-9(16)7-18-12(10)20/h6-7H,4-5,8H2,1-3H3,(H,17,21).
What are the key properties of 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide?
3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide has a molecular weight of 329.23 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106278900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).