1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide

C21H18ClN3O4 — CID 27370696

IUPAC1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C21H18ClN3O4/c22-17-7-9-18(10-8-17)29-14-19(26)23-24-21(28)16-6-11-20(27)25(13-16)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,23,26)(H,24,28)
InChIKeyHHERAQOPIVZJSA-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.39
Rot. Bonds6

About 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide

1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide (PubChem CID 27370696) has the molecular formula C21H18ClN3O4 and a molecular weight of 411.85 g/mol. Its IUPAC name is 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
PubChem CID27370696
Molecular FormulaC21H18ClN3O4
Molecular Weight411.85 g/mol
Exact Mass411.10
IUPAC Name1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C21H18ClN3O4/c22-17-7-9-18(10-8-17)29-14-19(26)23-24-21(28)16-6-11-20(27)25(13-16)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,23,26)(H,24,28)
InChIKeyHHERAQOPIVZJSA-UHFFFAOYSA-N
XLogP2.39
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.39
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-ethoxyphenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 27370719
1-benzyl-N'-(4-chlorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370713
1-[(4-chlorophenyl)methyl]-N'-[2-(2-fluorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide
CID 30837166
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694
1-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]-3-methylthiourea
CID 2764907
1-[(4-chlorophenyl)methyl]-N'-(2-methylsulfanylbenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370758
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
The IUPAC name of 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide (CID 27370696) is 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
The InChIKey is HHERAQOPIVZJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4/c22-17-7-9-18(10-8-17)29-14-19(26)23-24-21(28)16-6-11-20(27)25(13-16)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,23,26)(H,24,28).
What are the key properties of 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide?
1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide has a molecular weight of 411.85 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-[2-(4-chlorophenoxy)acetyl]-6-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 27370696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).