N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C18H23FN2O2 — CID 167510805

IUPACN-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC/C=C(F)\C=C/C(C)NC(=O)c1cc2c(n(C)c1=O)CCC2C
InChIInChI=1S/C18H23FN2O2/c1-5-13(19)8-7-12(3)20-17(22)15-10-14-11(2)6-9-16(14)21(4)18(15)23/h5,7-8,10-12H,6,9H2,1-4H3,(H,20,22)/b8-7-,13-5+
InChIKeyZEHASCCCEXIMBG-XYGSGGKESA-N
MW318.39 g/mol
LogP2.98
Rot. Bonds4

About N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 167510805) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID167510805
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESC/C=C(F)\C=C/C(C)NC(=O)c1cc2c(n(C)c1=O)CCC2C
InChIInChI=1S/C18H23FN2O2/c1-5-13(19)8-7-12(3)20-17(22)15-10-14-11(2)6-9-16(14)21(4)18(15)23/h5,7-8,10-12H,6,9H2,1-4H3,(H,20,22)/b8-7-,13-5+
InChIKeyZEHASCCCEXIMBG-XYGSGGKESA-N
XLogP2.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 167510805) is N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is C/C=C(F)\C=C/C(C)NC(=O)c1cc2c(n(C)c1=O)CCC2C.
What is the InChIKey of N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is ZEHASCCCEXIMBG-XYGSGGKESA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-5-13(19)8-7-12(3)20-17(22)15-10-14-11(2)6-9-16(14)21(4)18(15)23/h5,7-8,10-12H,6,9H2,1-4H3,(H,20,22)/b8-7-,13-5+.
What are the key properties of N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-1,5-dimethyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 167510805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).