6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide

C12H16N4O3 — CID 30482081

IUPAC6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H16N4O3/c17-10-5-4-9(14-15-10)12(19)13-6-2-8-16-7-1-3-11(16)18/h4-5H,1-3,6-8H2,(H,13,19)(H,15,17)
InChIKeyHDDLXTZKVCNVLW-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.49
Rot. Bonds5

About 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide (PubChem CID 30482081) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide
PubChem CID30482081
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H16N4O3/c17-10-5-4-9(14-15-10)12(19)13-6-2-8-16-7-1-3-11(16)18/h4-5H,1-3,6-8H2,(H,13,19)(H,15,17)
InChIKeyHDDLXTZKVCNVLW-UHFFFAOYSA-N
XLogP-0.49
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide (CID 30482081) is 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide?
The InChIKey is HDDLXTZKVCNVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-10-5-4-9(14-15-10)12(19)13-6-2-8-16-7-1-3-11(16)18/h4-5H,1-3,6-8H2,(H,13,19)(H,15,17).
What are the key properties of 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30482081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).