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

C19H16ClN3O3S — CID 27370732

IUPAC1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClN3O3S/c20-15-6-3-13(4-7-15)11-23-12-14(5-8-18(23)25)19(26)22-21-17(24)10-16-2-1-9-27-16/h1-9,12H,10-11H2,(H,21,24)(H,22,26)
InChIKeyPMRMUJLDOFUJEG-UHFFFAOYSA-N
MW401.88 g/mol
LogP2.62
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide (PubChem CID 27370732) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide
PubChem CID27370732
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide
SMILESO=C(Cc1cccs1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClN3O3S/c20-15-6-3-13(4-7-15)11-23-12-14(5-8-18(23)25)19(26)22-21-17(24)10-16-2-1-9-27-16/h1-9,12H,10-11H2,(H,21,24)(H,22,26)
InChIKeyPMRMUJLDOFUJEG-UHFFFAOYSA-N
XLogP2.62
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 52.62
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'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide (CID 27370732) is 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide is O=C(Cc1cccs1)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide?
The InChIKey is PMRMUJLDOFUJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-15-6-3-13(4-7-15)11-23-12-14(5-8-18(23)25)19(26)22-21-17(24)10-16-2-1-9-27-16/h1-9,12H,10-11H2,(H,21,24)(H,22,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide?
1-[(4-chlorophenyl)methyl]-6-oxo-N'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide has a molecular weight of 401.88 g/mol, XLogP of 2.62, 5 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'-(2-thiophen-2-ylacetyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 27370732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).