1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide

C21H17ClFN3O4 — CID 30837166

IUPAC1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClFN3O4/c22-16-8-5-14(6-9-16)11-26-12-15(7-10-20(26)28)21(29)25-24-19(27)13-30-18-4-2-1-3-17(18)23/h1-10,12H,11,13H2,(H,24,27)(H,25,29)
InChIKeyYOUURRATVIXEIF-UHFFFAOYSA-N
MW429.84 g/mol
LogP2.53
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide

1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide (PubChem CID 30837166) has the molecular formula C21H17ClFN3O4 and a molecular weight of 429.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
PubChem CID30837166
Molecular FormulaC21H17ClFN3O4
Molecular Weight429.84 g/mol
Exact Mass429.09
IUPAC Name1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClFN3O4/c22-16-8-5-14(6-9-16)11-26-12-15(7-10-20(26)28)21(29)25-24-19(27)13-30-18-4-2-1-3-17(18)23/h1-10,12H,11,13H2,(H,24,27)(H,25,29)
InChIKeyYOUURRATVIXEIF-UHFFFAOYSA-N
XLogP2.53
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.84
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 27370696
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694
1-[(4-chlorophenyl)methyl]-N'-(2-methylsulfanylbenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370758
1-benzyl-N'-[2-(4-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 27370719
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30707777
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
N'-[2-(2-chlorophenoxy)acetyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 16546809

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide (CID 30837166) is 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide is O=C(COc1ccccc1F)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
The InChIKey is YOUURRATVIXEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O4/c22-16-8-5-14(6-9-16)11-26-12-15(7-10-20(26)28)21(29)25-24-19(27)13-30-18-4-2-1-3-17(18)23/h1-10,12H,11,13H2,(H,24,27)(H,25,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide has a molecular weight of 429.84 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 30837166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).