N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide

C15H13Cl2N3O3 — CID 30837067

IUPACN'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C15H13Cl2N3O3/c1-9(21)18-19-14(22)11-3-2-6-20(15(11)23)8-10-4-5-12(16)13(17)7-10/h2-7H,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyZNYNDJNVORBYLP-UHFFFAOYSA-N
MW354.19 g/mol
LogP1.98
Rot. Bonds3

About N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide

N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (PubChem CID 30837067) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
PubChem CID30837067
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC NameN'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C15H13Cl2N3O3/c1-9(21)18-19-14(22)11-3-2-6-20(15(11)23)8-10-4-5-12(16)13(17)7-10/h2-7H,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyZNYNDJNVORBYLP-UHFFFAOYSA-N
XLogP1.98
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 51.98
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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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The IUPAC name of N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide (CID 30837067) is N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The canonical SMILES for N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is CC(=O)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
The InChIKey is ZNYNDJNVORBYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-9(21)18-19-14(22)11-3-2-6-20(15(11)23)8-10-4-5-12(16)13(17)7-10/h2-7H,8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide?
N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide has a molecular weight of 354.19 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-1-[(3,4-dichlorophenyl)methyl]-2-oxopyridine-3-carbohydrazide is sourced from PubChem (CID 30837067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).