3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one

C12H17N3O — CID 171726295

IUPAC3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCCN(C)CCc1c[nH]c2cc[nH]c(=O)c12
InChIInChI=1S/C12H17N3O/c1-3-15(2)7-5-9-8-14-10-4-6-13-12(16)11(9)10/h4,6,8,14H,3,5,7H2,1-2H3,(H,13,16)
InChIKeyLMHICZLZDMQXHK-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.35
Rot. Bonds4

About 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one

3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 171726295) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
PubChem CID171726295
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCCN(C)CCc1c[nH]c2cc[nH]c(=O)c12
InChIInChI=1S/C12H17N3O/c1-3-15(2)7-5-9-8-14-10-4-6-13-12(16)11(9)10/h4,6,8,14H,3,5,7H2,1-2H3,(H,13,16)
InChIKeyLMHICZLZDMQXHK-UHFFFAOYSA-N
XLogP1.35
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one (CID 171726295) is 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one is CCN(C)CCc1c[nH]c2cc[nH]c(=O)c12.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is LMHICZLZDMQXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-15(2)7-5-9-8-14-10-4-6-13-12(16)11(9)10/h4,6,8,14H,3,5,7H2,1-2H3,(H,13,16).
What are the key properties of 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 219.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethyl]-1,5-dihydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 171726295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).