6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one

C18H30N2O — CID 82523549

IUPAC6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCC(C)NCc1ccc(C(C)(C)C)n(C2CCCC2)c1=O
InChIInChI=1S/C18H30N2O/c1-13(2)19-12-14-10-11-16(18(3,4)5)20(17(14)21)15-8-6-7-9-15/h10-11,13,15,19H,6-9,12H2,1-5H3
InChIKeyVWVOPXIRKYOUFS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.76
Rot. Bonds4

About 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one

6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one (PubChem CID 82523549) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
PubChem CID82523549
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCC(C)NCc1ccc(C(C)(C)C)n(C2CCCC2)c1=O
InChIInChI=1S/C18H30N2O/c1-13(2)19-12-14-10-11-16(18(3,4)5)20(17(14)21)15-8-6-7-9-15/h10-11,13,15,19H,6-9,12H2,1-5H3
InChIKeyVWVOPXIRKYOUFS-UHFFFAOYSA-N
XLogP3.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The IUPAC name of 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one (CID 82523549) is 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The canonical SMILES for 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one is CC(C)NCc1ccc(C(C)(C)C)n(C2CCCC2)c1=O.
What is the InChIKey of 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The InChIKey is VWVOPXIRKYOUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)19-12-14-10-11-16(18(3,4)5)20(17(14)21)15-8-6-7-9-15/h10-11,13,15,19H,6-9,12H2,1-5H3.
What are the key properties of 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one has a molecular weight of 290.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82523549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).