N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide

C15H22N2O2 — CID 110196562

IUPACN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCC3)CCC=C12
InChIInChI=1S/C15H22N2O2/c1-17-12-6-3-8-15(12,9-7-13(17)18)10-16-14(19)11-4-2-5-11/h6,11H,2-5,7-10H2,1H3,(H,16,19)
InChIKeyJFBRWNXUVFTAND-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.82
Rot. Bonds3

About N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide

N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide (PubChem CID 110196562) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide
PubChem CID110196562
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCC3)CCC=C12
InChIInChI=1S/C15H22N2O2/c1-17-12-6-3-8-15(12,9-7-13(17)18)10-16-14(19)11-4-2-5-11/h6,11H,2-5,7-10H2,1H3,(H,16,19)
InChIKeyJFBRWNXUVFTAND-UHFFFAOYSA-N
XLogP1.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide (CID 110196562) is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide is CN1C(=O)CCC2(CNC(=O)C3CCC3)CCC=C12.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide?
The InChIKey is JFBRWNXUVFTAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-12-6-3-8-15(12,9-7-13(17)18)10-16-14(19)11-4-2-5-11/h6,11H,2-5,7-10H2,1H3,(H,16,19).
What are the key properties of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide?
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110196562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).