N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide

C20H23ClN4O — CID 5113824

IUPACN-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide
SMILESCCCCc1nc2c(C)c(NC(C)=O)cnc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN4O/c1-4-5-9-18-24-19-13(2)17(23-14(3)26)11-22-20(19)25(18)12-15-7-6-8-16(21)10-15/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,23,26)
InChIKeyCORGGPDRBKIBIX-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.74
Rot. Bonds6

About N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide

N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide (PubChem CID 5113824) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide
PubChem CID5113824
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide
SMILESCCCCc1nc2c(C)c(NC(C)=O)cnc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H23ClN4O/c1-4-5-9-18-24-19-13(2)17(23-14(3)26)11-22-20(19)25(18)12-15-7-6-8-16(21)10-15/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,23,26)
InChIKeyCORGGPDRBKIBIX-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3204080
1-benzyl-3-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]urea
CID 3212409
1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3212407
1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea
CID 3204062
N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide
CID 3212401
N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
CID 3204071
N-[2-butyl-3-[[4-[2-(3-cyclopentylpropanoylsulfamoyl)phenyl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]pentanamide
CID 19754054
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide
CID 3205882
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343
butyl N-[2-[4-[[6-(butanoylamino)-7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-4-butylphenyl]sulfonylcarbamate
CID 19939774
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887
N-[3-[[4-[2-(tert-butylsulfonylamino)-5-propylphenyl]phenyl]methyl]-7-methyl-2-propylimidazo[4,5-b]pyridin-6-yl]butanamide
CID 19939732

Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide?
The IUPAC name of N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide (CID 5113824) is N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide?
The canonical SMILES for N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide is CCCCc1nc2c(C)c(NC(C)=O)cnc2n1Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide?
The InChIKey is CORGGPDRBKIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-4-5-9-18-24-19-13(2)17(23-14(3)26)11-22-20(19)25(18)12-15-7-6-8-16(21)10-15/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,23,26).
What are the key properties of N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide?
N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide has a molecular weight of 370.88 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide is sourced from PubChem (CID 5113824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).