8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C13H21N3O — CID 96595271

IUPAC8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCCc1cc(=O)n2c(c1CCCN)N(C)CC2
InChIInChI=1S/C13H21N3O/c1-3-10-9-12(17)16-8-7-15(2)13(16)11(10)5-4-6-14/h9H,3-8,14H2,1-2H3
InChIKeyWMMCTKNAMZWJLK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.75
Rot. Bonds4

About 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one

8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 96595271) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID96595271
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCCc1cc(=O)n2c(c1CCCN)N(C)CC2
InChIInChI=1S/C13H21N3O/c1-3-10-9-12(17)16-8-7-15(2)13(16)11(10)5-4-6-14/h9H,3-8,14H2,1-2H3
InChIKeyWMMCTKNAMZWJLK-UHFFFAOYSA-N
XLogP0.75
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 96595271) is 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is CCc1cc(=O)n2c(c1CCCN)N(C)CC2.
What is the InChIKey of 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is WMMCTKNAMZWJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10-9-12(17)16-8-7-15(2)13(16)11(10)5-4-6-14/h9H,3-8,14H2,1-2H3.
What are the key properties of 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 235.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 96595271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).