N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide

C23H19N5O2 — CID 71841253

IUPACN-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NCCn2c(=O)n(Cc3ccccc3)c3cccnc32)cc1
InChIInChI=1S/C23H19N5O2/c24-15-17-8-10-19(11-9-17)22(29)26-13-14-27-21-20(7-4-12-25-21)28(23(27)30)16-18-5-2-1-3-6-18/h1-12H,13-14,16H2,(H,26,29)
InChIKeyOLMZWPWPULMTCA-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide

N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide (PubChem CID 71841253) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide
PubChem CID71841253
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NCCn2c(=O)n(Cc3ccccc3)c3cccnc32)cc1
InChIInChI=1S/C23H19N5O2/c24-15-17-8-10-19(11-9-17)22(29)26-13-14-27-21-20(7-4-12-25-21)28(23(27)30)16-18-5-2-1-3-6-18/h1-12H,13-14,16H2,(H,26,29)
InChIKeyOLMZWPWPULMTCA-UHFFFAOYSA-N
XLogP2.55
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide?
The IUPAC name of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide (CID 71841253) is N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide?
The canonical SMILES for N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide is N#Cc1ccc(C(=O)NCCn2c(=O)n(Cc3ccccc3)c3cccnc32)cc1.
What is the InChIKey of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide?
The InChIKey is OLMZWPWPULMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c24-15-17-8-10-19(11-9-17)22(29)26-13-14-27-21-20(7-4-12-25-21)28(23(27)30)16-18-5-2-1-3-6-18/h1-12H,13-14,16H2,(H,26,29).
What are the key properties of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide?
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide has a molecular weight of 397.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-4-cyanobenzamide is sourced from PubChem (CID 71841253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).