1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide

C20H16FN3O3 — CID 27370694

IUPAC1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O3/c21-17-9-6-15(7-10-17)19(26)22-23-20(27)16-8-11-18(25)24(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,22,26)(H,23,27)
InChIKeyXFLNHSNCCNTJSG-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.11
Rot. Bonds4

About 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide

1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide (PubChem CID 27370694) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
PubChem CID27370694
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O3/c21-17-9-6-15(7-10-17)19(26)22-23-20(27)16-8-11-18(25)24(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,22,26)(H,23,27)
InChIKeyXFLNHSNCCNTJSG-UHFFFAOYSA-N
XLogP2.11
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]-3-methylthiourea
CID 2764907
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 30837166
1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 27370696
1-[(4-fluorophenyl)methyl]-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843822
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843824
1-benzyl-6-oxo-N'-(4-oxochromene-2-carbonyl)pyridine-3-carbohydrazide
CID 27370701
1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 27370719
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide (CID 27370694) is 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide?
The InChIKey is XFLNHSNCCNTJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c21-17-9-6-15(7-10-17)19(26)22-23-20(27)16-8-11-18(25)24(13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,22,26)(H,23,27).
What are the key properties of 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide?
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide has a molecular weight of 365.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 27370694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).