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

C21H17ClFN3O3 — CID 27370731

IUPAC1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClFN3O3/c22-17-6-1-15(2-7-17)12-26-13-16(5-10-20(26)28)21(29)25-24-19(27)11-14-3-8-18(23)9-4-14/h1-10,13H,11-12H2,(H,24,27)(H,25,29)
InChIKeyMIPQHGWPJHIKSF-UHFFFAOYSA-N
MW413.84 g/mol
LogP2.69
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide (PubChem CID 27370731) has the molecular formula C21H17ClFN3O3 and a molecular weight of 413.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide
PubChem CID27370731
Molecular FormulaC21H17ClFN3O3
Molecular Weight413.84 g/mol
Exact Mass413.09
IUPAC Name1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClFN3O3/c22-17-6-1-15(2-7-17)12-26-13-16(5-10-20(26)28)21(29)25-24-19(27)11-14-3-8-18(23)9-4-14/h1-10,13H,11-12H2,(H,24,27)(H,25,29)
InChIKeyMIPQHGWPJHIKSF-UHFFFAOYSA-N
XLogP2.69
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 52.69
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

4-chloro-N-(2,6-dioxopiperidin-1-yl)-N-[(2-fluorophenyl)methyl]benzamide
CID 2233946
4-chloro-N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 9534854
N'-[(1-benzyl-4-piperidinyl)carbonyl]-3-chlorobenzenecarbohydrazide
CID 3465910
4-chloro-N-[4-[(2-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 2650169
Benzoic acid, m-chloro-, 2-(2-(benzylcarbamyol)ethyl)hydrazide
CID 27394
N-(4-chlorobenzyl)-4-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxamide
CID 1486031
N-[2-(4-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 2527737
N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide
CID 2653894
4-chloro-N'-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2658862
3-chloro-N'-{[1-(3-fluorobenzyl)-4-piperidinyl]carbonyl}benzenecarbohydrazide
CID 3536856
N-(4-benzylpiperazin-1-yl)-4-chlorobenzamide;hydrochloride
CID 16196110
2-chloro-N'-(4-fluorobenzoyl)-N'-nonan-5-ylbenzohydrazide
CID 42644920

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide (CID 27370731) is 1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide?
The InChIKey is MIPQHGWPJHIKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O3/c22-17-6-1-15(2-7-17)12-26-13-16(5-10-20(26)28)21(29)25-24-19(27)11-14-3-8-18(23)9-4-14/h1-10,13H,11-12H2,(H,24,27)(H,25,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide?
1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide has a molecular weight of 413.84 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N'-[2-(4-fluorophenyl)acetyl]-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 27370731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).