N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C16H15FN2O2 — CID 18427617

IUPACN-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1c[nH]c2c(c1=O)CCC2
InChIInChI=1S/C16H15FN2O2/c17-13-6-2-1-4-10(13)8-19-16(21)12-9-18-14-7-3-5-11(14)15(12)20/h1-2,4,6,9H,3,5,7-8H2,(H,18,20)(H,19,21)
InChIKeyPXOLERCBKWEIAI-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.93
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 18427617) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID18427617
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC NameN-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1c[nH]c2c(c1=O)CCC2
InChIInChI=1S/C16H15FN2O2/c17-13-6-2-1-4-10(13)8-19-16(21)12-9-18-14-7-3-5-11(14)15(12)20/h1-2,4,6,9H,3,5,7-8H2,(H,18,20)(H,19,21)
InChIKeyPXOLERCBKWEIAI-UHFFFAOYSA-N
XLogP1.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 18427617) is N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NCc1ccccc1F)c1c[nH]c2c(c1=O)CCC2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is PXOLERCBKWEIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-13-6-2-1-4-10(13)8-19-16(21)12-9-18-14-7-3-5-11(14)15(12)20/h1-2,4,6,9H,3,5,7-8H2,(H,18,20)(H,19,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 18427617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).