N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide

C28H30N4O2 — CID 1437852

IUPACN-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
SMILESCC(=O)c1ccccc1-c1ccc(Cn2c(C)nc3cc(NC(=O)C(C)(C)C)c(C)nc32)cc1
InChIInChI=1S/C28H30N4O2/c1-17-24(31-27(34)28(4,5)6)15-25-26(29-17)32(19(3)30-25)16-20-11-13-21(14-12-20)23-10-8-7-9-22(23)18(2)33/h7-15H,16H2,1-6H3,(H,31,34)
InChIKeyLHDXXQCHRKYWKQ-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.95
Rot. Bonds5

About N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide

N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide (PubChem CID 1437852) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
PubChem CID1437852
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
SMILESCC(=O)c1ccccc1-c1ccc(Cn2c(C)nc3cc(NC(=O)C(C)(C)C)c(C)nc32)cc1
InChIInChI=1S/C28H30N4O2/c1-17-24(31-27(34)28(4,5)6)15-25-26(29-17)32(19(3)30-25)16-20-11-13-21(14-12-20)23-10-8-7-9-22(23)18(2)33/h7-15H,16H2,1-6H3,(H,31,34)
InChIKeyLHDXXQCHRKYWKQ-UHFFFAOYSA-N
XLogP5.95
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
CID 1437823
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
CID 3205877
1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
CID 1437865
1-ethyl-3-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
CID 1437848
N-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434244
1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea
CID 1437811
1-[4-[4-[(6-amino-2,5-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]ethanone
CID 1437874
3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 1434264
[2-[4-[[6-(butanoylamino)-2-butyl-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl] tert-butyl carbonate
CID 67910008
N-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
CID 3212379
N-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-2-methyl-4-oxoquinazolin-6-yl]-2,2-dimethylpropanamide
CID 1434216
[2-[4-[[6-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2,5-dimethylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl] hydrogen carbonate
CID 67909983

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide (CID 1437852) is N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide is CC(=O)c1ccccc1-c1ccc(Cn2c(C)nc3cc(NC(=O)C(C)(C)C)c(C)nc32)cc1.
What is the InChIKey of N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide?
The InChIKey is LHDXXQCHRKYWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-17-24(31-27(34)28(4,5)6)15-25-26(29-17)32(19(3)30-25)16-20-11-13-21(14-12-20)23-10-8-7-9-22(23)18(2)33/h7-15H,16H2,1-6H3,(H,31,34).
What are the key properties of N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide?
N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide has a molecular weight of 454.57 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 1437852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).