N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide

C16H17FN2O2 — CID 164632744

IUPACN-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide
SMILESO=C1CC[C@]2(CNC(=O)c3ccc(F)cc3)CCC=C2N1
InChIInChI=1S/C16H17FN2O2/c17-12-5-3-11(4-6-12)15(21)18-10-16-8-1-2-13(16)19-14(20)7-9-16/h2-6H,1,7-10H2,(H,18,21)(H,19,20)/t16-/m0/s1
InChIKeyZALNDKGMCYVZMU-INIZCTEOSA-N
MW288.32 g/mol
LogP2.13
Rot. Bonds3

About N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide

N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide (PubChem CID 164632744) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide
PubChem CID164632744
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide
SMILESO=C1CC[C@]2(CNC(=O)c3ccc(F)cc3)CCC=C2N1
InChIInChI=1S/C16H17FN2O2/c17-12-5-3-11(4-6-12)15(21)18-10-16-8-1-2-13(16)19-14(20)7-9-16/h2-6H,1,7-10H2,(H,18,21)(H,19,20)/t16-/m0/s1
InChIKeyZALNDKGMCYVZMU-INIZCTEOSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide (CID 164632744) is N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide is O=C1CC[C@]2(CNC(=O)c3ccc(F)cc3)CCC=C2N1.
What is the InChIKey of N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide?
The InChIKey is ZALNDKGMCYVZMU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-12-5-3-11(4-6-12)15(21)18-10-16-8-1-2-13(16)19-14(20)7-9-16/h2-6H,1,7-10H2,(H,18,21)(H,19,20)/t16-/m0/s1.
What are the key properties of N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide?
N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 164632744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).