1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide

C14H23N3O3 — CID 79290593

IUPAC1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)CC(C)(C)O)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-5-6-9-17-12(18)8-7-11(15-17)13(19)16(4)10-14(2,3)20/h7-8,20H,5-6,9-10H2,1-4H3
InChIKeyYKOSPPBYDPFNEM-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.89
Rot. Bonds6

About 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 79290593) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID79290593
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)N(C)CC(C)(C)O)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-5-6-9-17-12(18)8-7-11(15-17)13(19)16(4)10-14(2,3)20/h7-8,20H,5-6,9-10H2,1-4H3
InChIKeyYKOSPPBYDPFNEM-UHFFFAOYSA-N
XLogP0.89
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide (CID 79290593) is 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)N(C)CC(C)(C)O)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is YKOSPPBYDPFNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-6-9-17-12(18)8-7-11(15-17)13(19)16(4)10-14(2,3)20/h7-8,20H,5-6,9-10H2,1-4H3.
What are the key properties of 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 79290593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).