1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one

C13H23N3O — CID 82897505

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

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

1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one (PubChem CID 82897505) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one
PubChem CID82897505
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one
SMILESCCCN(CCNC)CCn1ccccc1=O
InChIInChI=1S/C13H23N3O/c1-3-8-15(10-7-14-2)11-12-16-9-5-4-6-13(16)17/h4-6,9,14H,3,7-8,10-12H2,1-2H3
InChIKeyPHMPXKVGFCZQJU-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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one (CID 82897505) is 1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one is CCCN(CCNC)CCn1ccccc1=O.
What is the InChIKey of 1-[2-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one?
The InChIKey is PHMPXKVGFCZQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-8-15(10-7-14-2)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-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one?
1-[2-[2-(methylamino)ethyl-propylamino]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-[2-(methylamino)ethyl-propylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82897505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).