1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one

C17H22N2OS — CID 82516756

IUPAC1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one
SMILESCC(C)CNCc1ccc(-c2cccs2)n(C2CC2)c1=O
InChIInChI=1S/C17H22N2OS/c1-12(2)10-18-11-13-5-8-15(16-4-3-9-21-16)19(17(13)20)14-6-7-14/h3-5,8-9,12,14,18H,6-7,10-11H2,1-2H3
InChIKeyPUNPPOOOEJZOKG-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.66
Rot. Bonds6

About 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one

1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one (PubChem CID 82516756) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one
PubChem CID82516756
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one
SMILESCC(C)CNCc1ccc(-c2cccs2)n(C2CC2)c1=O
InChIInChI=1S/C17H22N2OS/c1-12(2)10-18-11-13-5-8-15(16-4-3-9-21-16)19(17(13)20)14-6-7-14/h3-5,8-9,12,14,18H,6-7,10-11H2,1-2H3
InChIKeyPUNPPOOOEJZOKG-UHFFFAOYSA-N
XLogP3.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one (CID 82516756) is 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one is CC(C)CNCc1ccc(-c2cccs2)n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one?
The InChIKey is PUNPPOOOEJZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)10-18-11-13-5-8-15(16-4-3-9-21-16)19(17(13)20)14-6-7-14/h3-5,8-9,12,14,18H,6-7,10-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one?
1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one has a molecular weight of 302.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-methylpropylamino)methyl]-6-thiophen-2-ylpyridin-2-one is sourced from PubChem (CID 82516756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).