N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide

C24H19N5O3 — CID 166226633

IUPACN'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide
SMILESN#Cc1cc(NC(=O)C(=O)NCCc2cn3ccccc3n2)ccc1Oc1ccccc1
InChIInChI=1S/C24H19N5O3/c25-15-17-14-18(9-10-21(17)32-20-6-2-1-3-7-20)28-24(31)23(30)26-12-11-19-16-29-13-5-4-8-22(29)27-19/h1-10,13-14,16H,11-12H2,(H,26,30)(H,28,31)
InChIKeyJVRKJHOKACDMDL-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.30
Rot. Bonds6

About N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide

N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide (PubChem CID 166226633) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide
PubChem CID166226633
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC NameN'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide
SMILESN#Cc1cc(NC(=O)C(=O)NCCc2cn3ccccc3n2)ccc1Oc1ccccc1
InChIInChI=1S/C24H19N5O3/c25-15-17-14-18(9-10-21(17)32-20-6-2-1-3-7-20)28-24(31)23(30)26-12-11-19-16-29-13-5-4-8-22(29)27-19/h1-10,13-14,16H,11-12H2,(H,26,30)(H,28,31)
InChIKeyJVRKJHOKACDMDL-UHFFFAOYSA-N
XLogP3.30
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-6-phenoxyphenyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 86899115
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethoxybenzamide
CID 41463533
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-phenoxybutanamide
CID 31008224
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 86986997
2-benzoyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430937
2-(2,4-dichlorophenoxy)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
CID 25429007
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
CID 31686010
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 39191791
2-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(4-phenoxyphenyl)benzamide
CID 18274448
5-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methoxybenzamide
CID 32837177
5-chloro-2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)benzonitrile
CID 133285740

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide?
The IUPAC name of N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide (CID 166226633) is N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide.
What is the SMILES notation for N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide?
The canonical SMILES for N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide is N#Cc1cc(NC(=O)C(=O)NCCc2cn3ccccc3n2)ccc1Oc1ccccc1.
What is the InChIKey of N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide?
The InChIKey is JVRKJHOKACDMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c25-15-17-14-18(9-10-21(17)32-20-6-2-1-3-7-20)28-24(31)23(30)26-12-11-19-16-29-13-5-4-8-22(29)27-19/h1-10,13-14,16H,11-12H2,(H,26,30)(H,28,31).
What are the key properties of N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide?
N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide has a molecular weight of 425.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-phenoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)oxamide is sourced from PubChem (CID 166226633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).