N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C25H22N4O3 — CID 24582273

IUPACN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)C1=O
InChIInChI=1S/C25H22N4O3/c1-17-25(31)29(21-6-2-3-7-22(21)32-17)15-13-24(30)26-19-11-9-18(10-12-19)20-16-28-14-5-4-8-23(28)27-20/h2-12,14,16-17H,13,15H2,1H3,(H,26,30)
InChIKeyKXWKWTUUOKXOHW-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.14
Rot. Bonds5

About N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 24582273) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID24582273
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)C1=O
InChIInChI=1S/C25H22N4O3/c1-17-25(31)29(21-6-2-3-7-22(21)32-17)15-13-24(30)26-19-11-9-18(10-12-19)20-16-28-14-5-4-8-23(28)27-20/h2-12,14,16-17H,13,15H2,1H3,(H,26,30)
InChIKeyKXWKWTUUOKXOHW-UHFFFAOYSA-N
XLogP4.14
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 24582273) is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is CC1Oc2ccccc2N(CCC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)C1=O.
What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is KXWKWTUUOKXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17-25(31)29(21-6-2-3-7-22(21)32-17)15-13-24(30)26-19-11-9-18(10-12-19)20-16-28-14-5-4-8-23(28)27-20/h2-12,14,16-17H,13,15H2,1H3,(H,26,30).
What are the key properties of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 426.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 24582273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).