1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one

C15H22N2O — CID 55151989

IUPAC1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CCNC(C2CC2)C2CC2)c(=O)c1
InChIInChI=1S/C15H22N2O/c1-11-6-8-17(14(18)10-11)9-7-16-15(12-2-3-12)13-4-5-13/h6,8,10,12-13,15-16H,2-5,7,9H2,1H3
InChIKeyZLUDXPIIROPBGT-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.93
Rot. Bonds6

About 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one

1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one (PubChem CID 55151989) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one
PubChem CID55151989
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CCNC(C2CC2)C2CC2)c(=O)c1
InChIInChI=1S/C15H22N2O/c1-11-6-8-17(14(18)10-11)9-7-16-15(12-2-3-12)13-4-5-13/h6,8,10,12-13,15-16H,2-5,7,9H2,1H3
InChIKeyZLUDXPIIROPBGT-UHFFFAOYSA-N
XLogP1.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one (CID 55151989) is 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one is Cc1ccn(CCNC(C2CC2)C2CC2)c(=O)c1.
What is the InChIKey of 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one?
The InChIKey is ZLUDXPIIROPBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-8-17(14(18)10-11)9-7-16-15(12-2-3-12)13-4-5-13/h6,8,10,12-13,15-16H,2-5,7,9H2,1H3.
What are the key properties of 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one?
1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one has a molecular weight of 246.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dicyclopropylmethylamino)ethyl]-4-methylpyridin-2-one is sourced from PubChem (CID 55151989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).