1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide

C18H14ClN3O3S — CID 27370733

IUPAC1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClN3O3S/c19-14-6-3-12(4-7-14)10-22-11-13(5-8-16(22)23)17(24)20-21-18(25)15-2-1-9-26-15/h1-9,11H,10H2,(H,20,24)(H,21,25)
InChIKeyWIKOHJYJZDVBGM-UHFFFAOYSA-N
MW387.85 g/mol
LogP2.69
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide

1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide (PubChem CID 27370733) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
PubChem CID27370733
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClN3O3S/c19-14-6-3-12(4-7-14)10-22-11-13(5-8-16(22)23)17(24)20-21-18(25)15-2-1-9-26-15/h1-9,11H,10H2,(H,20,24)(H,21,25)
InChIKeyWIKOHJYJZDVBGM-UHFFFAOYSA-N
XLogP2.69
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide (CID 27370733) is 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccs1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide?
The InChIKey is WIKOHJYJZDVBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-14-6-3-12(4-7-14)10-22-11-13(5-8-16(22)23)17(24)20-21-18(25)15-2-1-9-26-15/h1-9,11H,10H2,(H,20,24)(H,21,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide?
1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide has a molecular weight of 387.85 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(thiophene-2-carbonyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 27370733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).