1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide

C13H21N3O3 — CID 30790180

IUPAC1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide
SMILESCCC(CC)NC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C13H21N3O3/c1-4-10(5-2)14-13(18)11-6-7-12(17)16(15-11)8-9-19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,18)
InChIKeyMTLDAJAHFGRDEP-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.81
Rot. Bonds7

About 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide (PubChem CID 30790180) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide
PubChem CID30790180
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide
SMILESCCC(CC)NC(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C13H21N3O3/c1-4-10(5-2)14-13(18)11-6-7-12(17)16(15-11)8-9-19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,18)
InChIKeyMTLDAJAHFGRDEP-UHFFFAOYSA-N
XLogP0.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyethyl)piperidin-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47079519
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
N-cyclopentyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 9168301
N,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one
CID 136537663
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
1-(2-methoxyethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 45893404
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103082670
1-methyl-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazine-3-carboxamide
CID 133817357
6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazine-3-carboxamide
CID 133828796
1-butyl-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazine-3-carboxamide
CID 133828820

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide (CID 30790180) is 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide is CCC(CC)NC(=O)c1ccc(=O)n(CCOC)n1.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide?
The InChIKey is MTLDAJAHFGRDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-10(5-2)14-13(18)11-6-7-12(17)16(15-11)8-9-19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,18).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide is sourced from PubChem (CID 30790180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).