N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide

C14H11F2N3O2 — CID 63971441

IUPACN-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(F)nc2)ccc1F
InChIInChI=1S/C14H11F2N3O2/c1-8(20)18-12-6-10(3-4-11(12)15)19-14(21)9-2-5-13(16)17-7-9/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyGEKOVVYAOFYOJY-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.57
Rot. Bonds3

About N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide

N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide (PubChem CID 63971441) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
PubChem CID63971441
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC NameN-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(F)nc2)ccc1F
InChIInChI=1S/C14H11F2N3O2/c1-8(20)18-12-6-10(3-4-11(12)15)19-14(21)9-2-5-13(16)17-7-9/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeyGEKOVVYAOFYOJY-UHFFFAOYSA-N
XLogP2.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641
N-(3-cyano-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63978798
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
6-fluoro-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63972736
6-fluoro-N-(3-hydroxyphenyl)pyridine-3-carboxamide
CID 63979934
N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 99804576
6-fluoro-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 104856868
N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
5,6-difluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
CID 12987868
N-(5-acetamido-2-fluorophenyl)-3,5-difluoro-4-hydroxybenzamide
CID 86786071
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide (CID 63971441) is N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide is CC(=O)Nc1cc(NC(=O)c2ccc(F)nc2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide?
The InChIKey is GEKOVVYAOFYOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c1-8(20)18-12-6-10(3-4-11(12)15)19-14(21)9-2-5-13(16)17-7-9/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide?
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide has a molecular weight of 291.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63971441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).