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

C12H21N3O — CID 62564162

IUPAC1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
SMILESCN(C)CCCNCCn1ccccc1=O
InChIInChI=1S/C12H21N3O/c1-14(2)9-5-7-13-8-11-15-10-4-3-6-12(15)16/h3-4,6,10,13H,5,7-9,11H2,1-2H3
InChIKeyFPCHKPNHGWNOOJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds7

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

1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one (PubChem CID 62564162) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
PubChem CID62564162
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
SMILESCN(C)CCCNCCn1ccccc1=O
InChIInChI=1S/C12H21N3O/c1-14(2)9-5-7-13-8-11-15-10-4-3-6-12(15)16/h3-4,6,10,13H,5,7-9,11H2,1-2H3
InChIKeyFPCHKPNHGWNOOJ-UHFFFAOYSA-N
XLogP0.39
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
CID 82907735
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282
4-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 82897026
1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]pyridin-2-one
CID 82897187
1-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]pyridin-2-one
CID 82907105
1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one
CID 82897249
1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one
CID 105416898
1-[2-(benzylamino)ethyl]pyridin-2-one
CID 55070999
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one
CID 112557134
1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one
CID 82907275

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one (CID 62564162) is 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one is CN(C)CCCNCCn1ccccc1=O.
What is the InChIKey of 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one?
The InChIKey is FPCHKPNHGWNOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14(2)9-5-7-13-8-11-15-10-4-3-6-12(15)16/h3-4,6,10,13H,5,7-9,11H2,1-2H3.
What are the key properties of 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one?
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one has a molecular weight of 223.32 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 62564162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).