N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide

C25H26N4O2 — CID 71841205

IUPACN-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide
SMILESCc1ccc(Cn2c(=O)n(CCNC(=O)C(C)c3ccccc3)c3ncccc32)cc1
InChIInChI=1S/C25H26N4O2/c1-18-10-12-20(13-11-18)17-29-22-9-6-14-26-23(22)28(25(29)31)16-15-27-24(30)19(2)21-7-4-3-5-8-21/h3-14,19H,15-17H2,1-2H3,(H,27,30)
InChIKeySQGXMLMZIJCFAB-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.47
Rot. Bonds7

About N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide

N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide (PubChem CID 71841205) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide
PubChem CID71841205
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide
SMILESCc1ccc(Cn2c(=O)n(CCNC(=O)C(C)c3ccccc3)c3ncccc32)cc1
InChIInChI=1S/C25H26N4O2/c1-18-10-12-20(13-11-18)17-29-22-9-6-14-26-23(22)28(25(29)31)16-15-27-24(30)19(2)21-7-4-3-5-8-21/h3-14,19H,15-17H2,1-2H3,(H,27,30)
InChIKeySQGXMLMZIJCFAB-UHFFFAOYSA-N
XLogP3.47
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide?
The IUPAC name of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide (CID 71841205) is N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide is Cc1ccc(Cn2c(=O)n(CCNC(=O)C(C)c3ccccc3)c3ncccc32)cc1.
What is the InChIKey of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide?
The InChIKey is SQGXMLMZIJCFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-10-12-20(13-11-18)17-29-22-9-6-14-26-23(22)28(25(29)31)16-15-27-24(30)19(2)21-7-4-3-5-8-21/h3-14,19H,15-17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide?
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide has a molecular weight of 414.51 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 71841205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).