5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide

C16H17FN2O3 — CID 42442739

IUPAC5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1
InChIInChI=1S/C16H17FN2O3/c1-2-7-18-16(21)13-8-14(20)15(9-19-13)22-10-11-3-5-12(17)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyLUSLDNKDQZKNTA-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.23
Rot. Bonds6

About 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide

5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide (PubChem CID 42442739) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide
PubChem CID42442739
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide
SMILESCCCNC(=O)c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1
InChIInChI=1S/C16H17FN2O3/c1-2-7-18-16(21)13-8-14(20)15(9-19-13)22-10-11-3-5-12(17)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyLUSLDNKDQZKNTA-UHFFFAOYSA-N
XLogP2.23
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide (CID 42442739) is 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide is CCCNC(=O)c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide?
The InChIKey is LUSLDNKDQZKNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-2-7-18-16(21)13-8-14(20)15(9-19-13)22-10-11-3-5-12(17)6-4-11/h3-6,8-9H,2,7,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide?
5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-4-oxo-N-propyl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 42442739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).