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

C16H24N2O2 — CID 110196563

IUPACN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCCC3)CCC=C12
InChIInChI=1S/C16H24N2O2/c1-18-13-7-4-9-16(13,10-8-14(18)19)11-17-15(20)12-5-2-3-6-12/h7,12H,2-6,8-11H2,1H3,(H,17,20)
InChIKeyDRNCYHVODDILHX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds3

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

N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide (PubChem CID 110196563) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide
PubChem CID110196563
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide
SMILESCN1C(=O)CCC2(CNC(=O)C3CCCC3)CCC=C12
InChIInChI=1S/C16H24N2O2/c1-18-13-7-4-9-16(13,10-8-14(18)19)11-17-15(20)12-5-2-3-6-12/h7,12H,2-6,8-11H2,1H3,(H,17,20)
InChIKeyDRNCYHVODDILHX-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
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]cyclopentanecarboxamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide (CID 110196563) is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide is CN1C(=O)CCC2(CNC(=O)C3CCCC3)CCC=C12.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide?
The InChIKey is DRNCYHVODDILHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-13-7-4-9-16(13,10-8-14(18)19)11-17-15(20)12-5-2-3-6-12/h7,12H,2-6,8-11H2,1H3,(H,17,20).
What are the key properties of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide?
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]cyclopentanecarboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.21, 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]cyclopentanecarboxamide is sourced from PubChem (CID 110196563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).