N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide

C14H21N3O3 — CID 103868621

IUPACN-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(=O)[nH]n2)CCO1
InChIInChI=1S/C14H21N3O3/c1-3-14(4-2)9-10(7-8-20-14)15-13(19)11-5-6-12(18)17-16-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyKQPUHELMZYVEFT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.24
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103868621) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103868621
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCC1(CC)CC(NC(=O)c2ccc(=O)[nH]n2)CCO1
InChIInChI=1S/C14H21N3O3/c1-3-14(4-2)9-10(7-8-20-14)15-13(19)11-5-6-12(18)17-16-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyKQPUHELMZYVEFT-UHFFFAOYSA-N
XLogP1.24
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 82765330
4-amino-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 83040050
4-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 82760145
5-[(2,2-diethyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 83035065
N-cyclopent-3-en-1-yl-6-oxo-1H-pyridazine-3-carboxamide
CID 103762323
2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
CID 103868583
4-[(2,2-diethyloxan-4-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 83035205
N-(2,2-diethyloxan-4-yl)-3-hydroxy-4-iodobenzamide
CID 104629914
2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)pyridine-4-carboxamide
CID 83036644
N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 113223754
4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034731
N-(2,2-diethyloxan-4-yl)-2-fluoro-5-sulfanylbenzamide
CID 107033933

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103868621) is N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide is CCC1(CC)CC(NC(=O)c2ccc(=O)[nH]n2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KQPUHELMZYVEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-14(4-2)9-10(7-8-20-14)15-13(19)11-5-6-12(18)17-16-11/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103868621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).