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

C13H22N2O — CID 20605549

IUPAC3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one
SMILESCCCNCCn1cccc(C(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-4-7-14-8-10-15-9-5-6-12(11(2)3)13(15)16/h5-6,9,11,14H,4,7-8,10H2,1-3H3
InChIKeyOCKSUKDNYJERMQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.97
Rot. Bonds6

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

3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one (PubChem CID 20605549) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one
PubChem CID20605549
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one
SMILESCCCNCCn1cccc(C(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-4-7-14-8-10-15-9-5-6-12(11(2)3)13(15)16/h5-6,9,11,14H,4,7-8,10H2,1-3H3
InChIKeyOCKSUKDNYJERMQ-UHFFFAOYSA-N
XLogP1.97
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one?
The IUPAC name of 3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one (CID 20605549) is 3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one?
The canonical SMILES for 3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one is CCCNCCn1cccc(C(C)C)c1=O.
What is the InChIKey of 3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one?
The InChIKey is OCKSUKDNYJERMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-7-14-8-10-15-9-5-6-12(11(2)3)13(15)16/h5-6,9,11,14H,4,7-8,10H2,1-3H3.
What are the key properties of 3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one?
3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 20605549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).