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

C14H20N2O2 — CID 110196561

IUPACN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CC3)CCC=C12
InChIInChI=1S/C14H20N2O2/c1-16-11-3-2-7-14(11,8-6-12(16)17)9-15-13(18)10-4-5-10/h3,10H,2,4-9H2,1H3,(H,15,18)
InChIKeyHHWUQCGQCGNGMC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.43
Rot. Bonds3

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

N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide (PubChem CID 110196561) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide
PubChem CID110196561
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CC3)CCC=C12
InChIInChI=1S/C14H20N2O2/c1-16-11-3-2-7-14(11,8-6-12(16)17)9-15-13(18)10-4-5-10/h3,10H,2,4-9H2,1H3,(H,15,18)
InChIKeyHHWUQCGQCGNGMC-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.43
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]cyclopropanecarboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide (CID 110196561) is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide is CN1C(=O)CCC2(CNC(=O)C3CC3)CCC=C12.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide?
The InChIKey is HHWUQCGQCGNGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-11-3-2-7-14(11,8-6-12(16)17)9-15-13(18)10-4-5-10/h3,10H,2,4-9H2,1H3,(H,15,18).
What are the key properties of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide?
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopropanecarboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.43, 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]cyclopropanecarboxamide is sourced from PubChem (CID 110196561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).