3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one

C16H26N2O — CID 82524895

IUPAC3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one
SMILESCCC(C)NCc1ccc(C)n(C2CCCC2)c1=O
InChIInChI=1S/C16H26N2O/c1-4-12(2)17-11-14-10-9-13(3)18(16(14)19)15-7-5-6-8-15/h9-10,12,15,17H,4-8,11H2,1-3H3
InChIKeyGTRWUMXFDLQCBM-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.16
Rot. Bonds5

About 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one

3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one (PubChem CID 82524895) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one
PubChem CID82524895
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one
SMILESCCC(C)NCc1ccc(C)n(C2CCCC2)c1=O
InChIInChI=1S/C16H26N2O/c1-4-12(2)17-11-14-10-9-13(3)18(16(14)19)15-7-5-6-8-15/h9-10,12,15,17H,4-8,11H2,1-3H3
InChIKeyGTRWUMXFDLQCBM-UHFFFAOYSA-N
XLogP3.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one (CID 82524895) is 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one is CCC(C)NCc1ccc(C)n(C2CCCC2)c1=O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one?
The InChIKey is GTRWUMXFDLQCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-12(2)17-11-14-10-9-13(3)18(16(14)19)15-7-5-6-8-15/h9-10,12,15,17H,4-8,11H2,1-3H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one?
3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one has a molecular weight of 262.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one is sourced from PubChem (CID 82524895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).