1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide

C13H21N3O3 — CID 32616714

IUPAC1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N[C@@H](C)C(C)C)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-9(2)10(3)14-13(18)11-5-6-12(17)16(15-11)7-8-19-4/h5-6,9-10H,7-8H2,1-4H3,(H,14,18)/t10-/m0/s1
InChIKeyCZNAZIYTBCRFFJ-JTQLQIEISA-N
MW267.33 g/mol
LogP0.66
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide

1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 32616714) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
PubChem CID32616714
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N[C@@H](C)C(C)C)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-9(2)10(3)14-13(18)11-5-6-12(17)16(15-11)7-8-19-4/h5-6,9-10H,7-8H2,1-4H3,(H,14,18)/t10-/m0/s1
InChIKeyCZNAZIYTBCRFFJ-JTQLQIEISA-N
XLogP0.66
TPSA73.22 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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
N-(1-cyclopropylethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 45850331
3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one
CID 136537663
1-(2-methoxyethyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxopyridazine-3-carboxamide
CID 45893404
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
N-(dicyclopropylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 30699513
N-(3-methoxypropyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44012303
1-ethyl-N-(2-morpholinoethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 44012345

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide (CID 32616714) is 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)N[C@@H](C)C(C)C)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is CZNAZIYTBCRFFJ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)10(3)14-13(18)11-5-6-12(17)16(15-11)7-8-19-4/h5-6,9-10H,7-8H2,1-4H3,(H,14,18)/t10-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide?
1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 32616714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).