2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride

C18H22Cl3N5O — CID 14390215

IUPAC2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
SMILESCN(C)CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21.Cl.Cl
InChIInChI=1S/C18H20ClN5O.2ClH/c1-23(2)11-10-20-16(25)12-24-17(13-5-7-14(19)8-6-13)22-15-4-3-9-21-18(15)24;;/h3-9H,10-12H2,1-2H3,(H,20,25);2*1H
InChIKeyAEFSXCVQPWFHGQ-UHFFFAOYSA-N
MW430.77 g/mol
LogP3.27
Rot. Bonds6

About 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride

2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride (PubChem CID 14390215) has the molecular formula C18H22Cl3N5O and a molecular weight of 430.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
PubChem CID14390215
Molecular FormulaC18H22Cl3N5O
Molecular Weight430.77 g/mol
Exact Mass429.09
IUPAC Name2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
SMILESCN(C)CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21.Cl.Cl
InChIInChI=1S/C18H20ClN5O.2ClH/c1-23(2)11-10-20-16(25)12-24-17(13-5-7-14(19)8-6-13)22-15-4-3-9-21-18(15)24;;/h3-9H,10-12H2,1-2H3,(H,20,25);2*1H
InChIKeyAEFSXCVQPWFHGQ-UHFFFAOYSA-N
XLogP3.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride (CID 14390215) is 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride is CN(C)CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21.Cl.Cl.
What is the InChIKey of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride?
The InChIKey is AEFSXCVQPWFHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O.2ClH/c1-23(2)11-10-20-16(25)12-24-17(13-5-7-14(19)8-6-13)22-15-4-3-9-21-18(15)24;;/h3-9H,10-12H2,1-2H3,(H,20,25);2*1H.
What are the key properties of 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride?
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride has a molecular weight of 430.77 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 14390215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).