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

C23H30N4O — CID 3205877

IUPACN-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
SMILESCCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccccc1
InChIInChI=1S/C23H30N4O/c1-6-7-13-20-25-19-14-18(26-22(28)23(3,4)5)16(2)24-21(19)27(20)15-17-11-9-8-10-12-17/h8-12,14H,6-7,13,15H2,1-5H3,(H,26,28)
InChIKeyGISBZUBUUXWBGX-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.12
Rot. Bonds6

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

N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide (PubChem CID 3205877) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
PubChem CID3205877
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
SMILESCCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccccc1
InChIInChI=1S/C23H30N4O/c1-6-7-13-20-25-19-14-18(26-22(28)23(3,4)5)16(2)24-21(19)27(20)15-17-11-9-8-10-12-17/h8-12,14H,6-7,13,15H2,1-5H3,(H,26,28)
InChIKeyGISBZUBUUXWBGX-UHFFFAOYSA-N
XLogP5.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
CID 3212379
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)-4-chlorobenzamide
CID 3205882
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887
N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197681
N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197690
tert-butyl N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]carbamate
CID 3205871
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
CID 3212345
[2-[4-[[6-(butanoylamino)-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl] tert-butyl carbonate
CID 67910008
1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212358
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-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide (CID 3205877) is N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide is CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccccc1.
What is the InChIKey of N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide?
The InChIKey is GISBZUBUUXWBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-6-7-13-20-25-19-14-18(26-22(28)23(3,4)5)16(2)24-21(19)27(20)15-17-11-9-8-10-12-17/h8-12,14H,6-7,13,15H2,1-5H3,(H,26,28).
What are the key properties of N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide?
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 5.12, 6 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 3205877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).