1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one

C13H23N3O — CID 82897249

IUPAC1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one
SMILESCCCNCCN(C)CCn1ccccc1=O
InChIInChI=1S/C13H23N3O/c1-3-7-14-8-10-15(2)11-12-16-9-5-4-6-13(16)17/h4-6,9,14H,3,7-8,10-12H2,1-2H3
InChIKeySUQVIYLOPKWYBZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.78
Rot. Bonds8

About 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one

1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one (PubChem CID 82897249) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one
PubChem CID82897249
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one
SMILESCCCNCCN(C)CCn1ccccc1=O
InChIInChI=1S/C13H23N3O/c1-3-7-14-8-10-15(2)11-12-16-9-5-4-6-13(16)17/h4-6,9,14H,3,7-8,10-12H2,1-2H3
InChIKeySUQVIYLOPKWYBZ-UHFFFAOYSA-N
XLogP0.78
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.78
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-[methyl-[3-(methylamino)propyl]amino]ethyl]pyridin-2-one
CID 82907105
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
CID 62564162
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282
1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one
CID 82897505
1-[2-[[4-(aminomethyl)phenyl]methyl-methylamino]ethyl]pyridin-2-one
CID 82896599
2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanethioamide
CID 82897140
N'-hydroxy-2-[methyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]ethanimidamide
CID 82897059
1-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]pyridin-2-one
CID 115758436
1-[2-[(3-bromocyclobutyl)methyl-methylamino]ethyl]pyridin-2-one
CID 82907509
ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate
CID 82897754
1-[2-[3-(propylaminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82896565
1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
CID 82907735

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one (CID 82897249) is 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one is CCCNCCN(C)CCn1ccccc1=O.
What is the InChIKey of 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one?
The InChIKey is SUQVIYLOPKWYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-14-8-10-15(2)11-12-16-9-5-4-6-13(16)17/h4-6,9,14H,3,7-8,10-12H2,1-2H3.
What are the key properties of 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one?
1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one has a molecular weight of 237.35 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[2-(propylamino)ethyl]amino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).