N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

C13H21N3O3 — CID 104670530

IUPACN-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC(C)C(OC)OC
InChIInChI=1S/C13H21N3O3/c1-6-11-10(7-8(2)15-16-11)12(17)14-9(3)13(18-4)19-5/h7,9,13H,6H2,1-5H3,(H,14,17)
InChIKeyOZFHQLWZOBGWCQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.08
Rot. Bonds6

About N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104670530) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104670530
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC(C)C(OC)OC
InChIInChI=1S/C13H21N3O3/c1-6-11-10(7-8(2)15-16-11)12(17)14-9(3)13(18-4)19-5/h7,9,13H,6H2,1-5H3,(H,14,17)
InChIKeyOZFHQLWZOBGWCQ-UHFFFAOYSA-N
XLogP1.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
CID 104624859
3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 104625743
3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
CID 104624588
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261
N-(1-aminohexan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671668
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670448
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671999
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104670530) is N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NC(C)C(OC)OC.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is OZFHQLWZOBGWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-6-11-10(7-8(2)15-16-11)12(17)14-9(3)13(18-4)19-5/h7,9,13H,6H2,1-5H3,(H,14,17).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104670530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).