4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide

C25H25N3O4 — CID 60567580

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(-c2cn3c(n2)CCCC3)c1
InChIInChI=1S/C25H25N3O4/c29-21(18-7-9-22-23(15-18)32-13-12-31-22)8-10-25(30)26-19-5-3-4-17(14-19)20-16-28-11-2-1-6-24(28)27-20/h3-5,7,9,14-16H,1-2,6,8,10-13H2,(H,26,30)
InChIKeyXLJLVWRCVAIWOY-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.26
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide (PubChem CID 60567580) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
PubChem CID60567580
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(-c2cn3c(n2)CCCC3)c1
InChIInChI=1S/C25H25N3O4/c29-21(18-7-9-22-23(15-18)32-13-12-31-22)8-10-25(30)26-19-5-3-4-17(14-19)20-16-28-11-2-1-6-24(28)27-20/h3-5,7,9,14-16H,1-2,6,8,10-13H2,(H,26,30)
InChIKeyXLJLVWRCVAIWOY-UHFFFAOYSA-N
XLogP4.26
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 55885429
N-[[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134369599
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
CID 56567177
3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide
CID 71887416
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110426277
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 51193915
2,3-dichloro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885167
2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525309
(2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 94495320
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 29198112
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylphenyl)-5-oxopentanamide
CID 110344578

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide (CID 60567580) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide is O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccc(-c2cn3c(n2)CCCC3)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide?
The InChIKey is XLJLVWRCVAIWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-21(18-7-9-22-23(15-18)32-13-12-31-22)8-10-25(30)26-19-5-3-4-17(14-19)20-16-28-11-2-1-6-24(28)27-20/h3-5,7,9,14-16H,1-2,6,8,10-13H2,(H,26,30).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide has a molecular weight of 431.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 60567580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).