3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one

C9H15N3O — CID 82991102

IUPAC3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one
SMILESCN(C)CCn1ccc(=O)c(N)c1
InChIInChI=1S/C9H15N3O/c1-11(2)5-6-12-4-3-9(13)8(10)7-12/h3-4,7H,5-6,10H2,1-2H3
InChIKeyCMLYHANLINUMDJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.01
Rot. Bonds3

About 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one

3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one (PubChem CID 82991102) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one
PubChem CID82991102
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one
SMILESCN(C)CCn1ccc(=O)c(N)c1
InChIInChI=1S/C9H15N3O/c1-11(2)5-6-12-4-3-9(13)8(10)7-12/h3-4,7H,5-6,10H2,1-2H3
InChIKeyCMLYHANLINUMDJ-UHFFFAOYSA-N
XLogP-0.01
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one (CID 82991102) is 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one is CN(C)CCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one?
The InChIKey is CMLYHANLINUMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-11(2)5-6-12-4-3-9(13)8(10)7-12/h3-4,7H,5-6,10H2,1-2H3.
What are the key properties of 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one?
3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one has a molecular weight of 181.24 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(dimethylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 82991102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).