N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide

C25H25ClN4O — CID 3205882

IUPACN-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide
SMILESCCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1
InChIInChI=1S/C25H25ClN4O/c1-3-4-10-23-28-22-15-21(29-25(31)19-11-13-20(26)14-12-19)17(2)27-24(22)30(23)16-18-8-6-5-7-9-18/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,29,31)
InChIKeySTMPQFCCYMRKBP-UHFFFAOYSA-N
MW432.96 g/mol
LogP6.04
Rot. Bonds7

About N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide

N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide (PubChem CID 3205882) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide
PubChem CID3205882
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC NameN-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide
SMILESCCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1
InChIInChI=1S/C25H25ClN4O/c1-3-4-10-23-28-22-15-21(29-25(31)19-11-13-20(26)14-12-19)17(2)27-24(22)30(23)16-18-8-6-5-7-9-18/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,29,31)
InChIKeySTMPQFCCYMRKBP-UHFFFAOYSA-N
XLogP6.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197681
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887
N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197690
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
CID 3205884
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
CID 3205877
1-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3197696
1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212358
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
CID 3212345
tert-butyl N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]carbamate
CID 3205871
N-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
CID 3212379
[2-[4-[[6-(butanoylamino)-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl] tert-butyl carbonate
CID 67910008

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide?
The IUPAC name of N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide (CID 3205882) is N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide?
The canonical SMILES for N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide is CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide?
The InChIKey is STMPQFCCYMRKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-3-4-10-23-28-22-15-21(29-25(31)19-11-13-20(26)14-12-19)17(2)27-24(22)30(23)16-18-8-6-5-7-9-18/h5-9,11-15H,3-4,10,16H2,1-2H3,(H,29,31).
What are the key properties of N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide?
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide has a molecular weight of 432.96 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide is sourced from PubChem (CID 3205882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).