1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide

C15H24N4O3 — CID 31011894

IUPAC1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCNC(=O)C(C)C)ccc1=O
InChIInChI=1S/C15H24N4O3/c1-4-5-10-19-13(20)7-6-12(18-19)15(22)17-9-8-16-14(21)11(2)3/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,21)(H,17,22)
InChIKeyDWIOZTNKKBLRIQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.55
Rot. Bonds8

About 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 31011894) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID31011894
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCCNC(=O)C(C)C)ccc1=O
InChIInChI=1S/C15H24N4O3/c1-4-5-10-19-13(20)7-6-12(18-19)15(22)17-9-8-16-14(21)11(2)3/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,21)(H,17,22)
InChIKeyDWIOZTNKKBLRIQ-UHFFFAOYSA-N
XLogP0.55
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
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 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide (CID 31011894) is 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCCNC(=O)C(C)C)ccc1=O.
What is the InChIKey of 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is DWIOZTNKKBLRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-4-5-10-19-13(20)7-6-12(18-19)15(22)17-9-8-16-14(21)11(2)3/h6-7,11H,4-5,8-10H2,1-3H3,(H,16,21)(H,17,22).
What are the key properties of 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31011894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).