N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C25H22N4O3 — CID 25341536

IUPACN-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1cccn2c(NC(=O)CCN3C(=O)COc4ccccc43)c(-c3ccccc3)nc12
InChIInChI=1S/C25H22N4O3/c1-17-8-7-14-29-24(17)27-23(18-9-3-2-4-10-18)25(29)26-21(30)13-15-28-19-11-5-6-12-20(19)32-16-22(28)31/h2-12,14H,13,15-16H2,1H3,(H,26,30)
InChIKeyYIKOGMHZIOCDQB-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.06
Rot. Bonds5

About N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 25341536) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID25341536
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCc1cccn2c(NC(=O)CCN3C(=O)COc4ccccc43)c(-c3ccccc3)nc12
InChIInChI=1S/C25H22N4O3/c1-17-8-7-14-29-24(17)27-23(18-9-3-2-4-10-18)25(29)26-21(30)13-15-28-19-11-5-6-12-20(19)32-16-22(28)31/h2-12,14H,13,15-16H2,1H3,(H,26,30)
InChIKeyYIKOGMHZIOCDQB-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
3-cyclopentyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 16559332
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide
CID 17488541
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 18273284
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837203
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 92738385
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
N-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanamide
CID 55480091
4-methyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentanoic acid
CID 82033825
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 31929401

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 25341536) is N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is Cc1cccn2c(NC(=O)CCN3C(=O)COc4ccccc43)c(-c3ccccc3)nc12.
What is the InChIKey of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is YIKOGMHZIOCDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17-8-7-14-29-24(17)27-23(18-9-3-2-4-10-18)25(29)26-21(30)13-15-28-19-11-5-6-12-20(19)32-16-22(28)31/h2-12,14H,13,15-16H2,1H3,(H,26,30).
What are the key properties of N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 426.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 25341536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).