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

C15H18N6O2 — CID 121114123

IUPAC6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C15H18N6O2/c22-14-3-1-8-20(14)9-2-6-17-15(23)12-4-5-13(19-18-12)21-10-7-16-11-21/h4-5,7,10-11H,1-3,6,8-9H2,(H,17,23)
InChIKeySCAZNWDCEFBLKS-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.40
Rot. Bonds6

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

6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide (PubChem CID 121114123) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
PubChem CID121114123
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C15H18N6O2/c22-14-3-1-8-20(14)9-2-6-17-15(23)12-4-5-13(19-18-12)21-10-7-16-11-21/h4-5,7,10-11H,1-3,6,8-9H2,(H,17,23)
InChIKeySCAZNWDCEFBLKS-UHFFFAOYSA-N
XLogP0.40
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide (CID 121114123) is 6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of 6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
The InChIKey is SCAZNWDCEFBLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c22-14-3-1-8-20(14)9-2-6-17-15(23)12-4-5-13(19-18-12)21-10-7-16-11-21/h4-5,7,10-11H,1-3,6,8-9H2,(H,17,23).
What are the key properties of 6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121114123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).