3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide

C15H16FN3O2 — CID 61103547

IUPAC3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide
SMILESCCn1cc(NC(=O)c2cc(N)c(C)c(F)c2)ccc1=O
InChIInChI=1S/C15H16FN3O2/c1-3-19-8-11(4-5-14(19)20)18-15(21)10-6-12(16)9(2)13(17)7-10/h4-8H,3,17H2,1-2H3,(H,18,21)
InChIKeyWXTJGXNKMFMHMI-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.15
Rot. Bonds3

About 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide

3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide (PubChem CID 61103547) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide
PubChem CID61103547
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide
SMILESCCn1cc(NC(=O)c2cc(N)c(C)c(F)c2)ccc1=O
InChIInChI=1S/C15H16FN3O2/c1-3-19-8-11(4-5-14(19)20)18-15(21)10-6-12(16)9(2)13(17)7-10/h4-8H,3,17H2,1-2H3,(H,18,21)
InChIKeyWXTJGXNKMFMHMI-UHFFFAOYSA-N
XLogP2.15
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzamide
CID 62677966
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
CID 146323461
3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide
CID 60861516
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 47255035
4-(dimethylamino)-3-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 51096607
4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide
CID 65358234
3-bromo-4-fluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 103706931
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide (CID 61103547) is 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide is CCn1cc(NC(=O)c2cc(N)c(C)c(F)c2)ccc1=O.
What is the InChIKey of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide?
The InChIKey is WXTJGXNKMFMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-3-19-8-11(4-5-14(19)20)18-15(21)10-6-12(16)9(2)13(17)7-10/h4-8H,3,17H2,1-2H3,(H,18,21).
What are the key properties of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide?
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide has a molecular weight of 289.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 61103547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).