3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide

C14H23N3O2 — CID 71969293

IUPAC3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide
SMILESCCc1n[nH]c(=O)c(C(=O)NC(CC)CC)c1CC
InChIInChI=1S/C14H23N3O2/c1-5-9(6-2)15-13(18)12-10(7-3)11(8-4)16-17-14(12)19/h9H,5-8H2,1-4H3,(H,15,18)(H,17,19)
InChIKeyLMVWMKQSJQAKQZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.81
Rot. Bonds6

About 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide

3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide (PubChem CID 71969293) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide
PubChem CID71969293
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide
SMILESCCc1n[nH]c(=O)c(C(=O)NC(CC)CC)c1CC
InChIInChI=1S/C14H23N3O2/c1-5-9(6-2)15-13(18)12-10(7-3)11(8-4)16-17-14(12)19/h9H,5-8H2,1-4H3,(H,15,18)(H,17,19)
InChIKeyLMVWMKQSJQAKQZ-UHFFFAOYSA-N
XLogP1.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide (CID 71969293) is 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide is CCc1n[nH]c(=O)c(C(=O)NC(CC)CC)c1CC.
What is the InChIKey of 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide?
The InChIKey is LMVWMKQSJQAKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-9(6-2)15-13(18)12-10(7-3)11(8-4)16-17-14(12)19/h9H,5-8H2,1-4H3,(H,15,18)(H,17,19).
What are the key properties of 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide?
3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 71969293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).