2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide

C21H25ClN4O — CID 70410455

IUPAC2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(Cc2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C21H25ClN4O/c1-3-12-25(13-4-2)20(27)15-26-19(14-16-7-9-17(22)10-8-16)24-18-6-5-11-23-21(18)26/h5-11H,3-4,12-15H2,1-2H3
InChIKeyAEPCRGHIQVXTCY-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.32
Rot. Bonds8

About 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide

2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide (PubChem CID 70410455) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide
PubChem CID70410455
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(Cc2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C21H25ClN4O/c1-3-12-25(13-4-2)20(27)15-26-19(14-16-7-9-17(22)10-8-16)24-18-6-5-11-23-21(18)26/h5-11H,3-4,12-15H2,1-2H3
InChIKeyAEPCRGHIQVXTCY-UHFFFAOYSA-N
XLogP4.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117165366
2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide
CID 14390399
1-[3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 71628890
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide
CID 14390370
N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide
CID 18734179
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
2-(chloromethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79294366
4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165381
4-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18733180
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 14390236
2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117165274

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide (CID 70410455) is 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c(Cc2ccc(Cl)cc2)nc2cccnc21.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide?
The InChIKey is AEPCRGHIQVXTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-3-12-25(13-4-2)20(27)15-26-19(14-16-7-9-17(22)10-8-16)24-18-6-5-11-23-21(18)26/h5-11H,3-4,12-15H2,1-2H3.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide?
2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide has a molecular weight of 384.91 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 70410455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).