1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide

C14H21N3O4 — CID 35245265

IUPAC1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N[C@@H](C)[C@H]2CCCO2)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-10(12-4-3-8-21-12)15-14(19)11-5-6-13(18)17(16-11)7-9-20-2/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,15,19)/t10-,12+/m0/s1
InChIKeyPFZCSTWTJIIPRC-CMPLNLGQSA-N
MW295.34 g/mol
LogP0.19
Rot. Bonds6

About 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide (PubChem CID 35245265) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide
PubChem CID35245265
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)N[C@@H](C)[C@H]2CCCO2)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-10(12-4-3-8-21-12)15-14(19)11-5-6-13(18)17(16-11)7-9-20-2/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,15,19)/t10-,12+/m0/s1
InChIKeyPFZCSTWTJIIPRC-CMPLNLGQSA-N
XLogP0.19
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide (CID 35245265) is 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide is COCCn1nc(C(=O)N[C@@H](C)[C@H]2CCCO2)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide?
The InChIKey is PFZCSTWTJIIPRC-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10(12-4-3-8-21-12)15-14(19)11-5-6-13(18)17(16-11)7-9-20-2/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,15,19)/t10-,12+/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 35245265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).