6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide

C16H16FN3O2 — CID 175139736

IUPAC6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(CNC(=O)c2ccc(F)nc2)c2c1CCC2
InChIInChI=1S/C16H16FN3O2/c1-9-11-3-2-4-12(11)13(16(22)20-9)8-19-15(21)10-5-6-14(17)18-7-10/h5-7H,2-4,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyMWUMAQCGKWGCFZ-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.64
Rot. Bonds3

About 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide

6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 175139736) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID175139736
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(CNC(=O)c2ccc(F)nc2)c2c1CCC2
InChIInChI=1S/C16H16FN3O2/c1-9-11-3-2-4-12(11)13(16(22)20-9)8-19-15(21)10-5-6-14(17)18-7-10/h5-7H,2-4,8H2,1H3,(H,19,21)(H,20,22)
InChIKeyMWUMAQCGKWGCFZ-UHFFFAOYSA-N
XLogP1.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1-methyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 175147181
N-[(1-methyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)methyl]-5-(trifluoromethyl)furan-2-carboxamide
CID 175148502
N-[(4-methyl-2-oxo-6-phenyl-1H-pyridin-3-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 175358117
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
6-fluoro-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 63978404
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoropyridine-3-carboxamide
CID 63978201
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-fluoropyridine-3-carboxamide
CID 103718321
N-(2-chloroprop-2-enyl)-6-fluoropyridine-3-carboxamide
CID 115668746
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide (CID 175139736) is 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide is Cc1[nH]c(=O)c(CNC(=O)c2ccc(F)nc2)c2c1CCC2.
What is the InChIKey of 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is MWUMAQCGKWGCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-9-11-3-2-4-12(11)13(16(22)20-9)8-19-15(21)10-5-6-14(17)18-7-10/h5-7H,2-4,8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide?
6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1-methyl-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 175139736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).