N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H13FN2O2 — CID 56809827

IUPACN-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)c1cccc(F)c1
InChIInChI=1S/C14H13FN2O2/c1-9(10-3-2-4-12(15)7-10)17-14(19)11-5-6-13(18)16-8-11/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyMAOBXDNNRUYRQG-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.01
Rot. Bonds3

About N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56809827) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56809827
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)c1cccc(F)c1
InChIInChI=1S/C14H13FN2O2/c1-9(10-3-2-4-12(15)7-10)17-14(19)11-5-6-13(18)16-8-11/h2-9H,1H3,(H,16,18)(H,17,19)
InChIKeyMAOBXDNNRUYRQG-UHFFFAOYSA-N
XLogP2.01
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
N-[1-(3-fluorophenyl)ethyl]-4-iodobenzamide
CID 47098593
N-[1-(3-fluorophenyl)ethyl]-4-sulfanylbenzamide
CID 107025556
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715179
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[1-(3-fluorophenyl)ethyl]-5-iodothiophene-3-carboxamide
CID 78949059
4-amino-3,5-dichloro-N-[1-(3-fluorophenyl)ethyl]benzamide
CID 82808709
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 175847313

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 56809827) is N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)[nH]c1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MAOBXDNNRUYRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9(10-3-2-4-12(15)7-10)17-14(19)11-5-6-13(18)16-8-11/h2-9H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56809827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).