6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide

C13H14N4O3S — CID 108542025

IUPAC6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Cc1cccs1)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H14N4O3S/c18-11-4-3-10(16-17-11)13(20)15-6-5-14-12(19)8-9-2-1-7-21-9/h1-4,7H,5-6,8H2,(H,14,19)(H,15,20)(H,17,18)
InChIKeyGVKRSRLIAIIINP-UHFFFAOYSA-N
MW306.35 g/mol
LogP-0.08
Rot. Bonds6

About 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide (PubChem CID 108542025) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
PubChem CID108542025
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Cc1cccs1)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H14N4O3S/c18-11-4-3-10(16-17-11)13(20)15-6-5-14-12(19)8-9-2-1-7-21-9/h1-4,7H,5-6,8H2,(H,14,19)(H,15,20)(H,17,18)
InChIKeyGVKRSRLIAIIINP-UHFFFAOYSA-N
XLogP-0.08
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide (CID 108542025) is 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide is O=C(Cc1cccs1)NCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
The InChIKey is GVKRSRLIAIIINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c18-11-4-3-10(16-17-11)13(20)15-6-5-14-12(19)8-9-2-1-7-21-9/h1-4,7H,5-6,8H2,(H,14,19)(H,15,20)(H,17,18).
What are the key properties of 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide has a molecular weight of 306.35 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108542025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).