6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide

C17H25N3O3S — CID 55613399

IUPAC6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC2CCCO2)C2CCSC2)ccc1=O
InChIInChI=1S/C17H25N3O3S/c1-2-8-20-16(21)6-5-15(18-20)17(22)19(13-7-10-24-12-13)11-14-4-3-9-23-14/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyJBCYZPQMXUKTGU-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.78
Rot. Bonds6

About 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide

6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide (PubChem CID 55613399) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
PubChem CID55613399
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC2CCCO2)C2CCSC2)ccc1=O
InChIInChI=1S/C17H25N3O3S/c1-2-8-20-16(21)6-5-15(18-20)17(22)19(13-7-10-24-12-13)11-14-4-3-9-23-14/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyJBCYZPQMXUKTGU-UHFFFAOYSA-N
XLogP1.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
5-chloro-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyridine-3-carboxamide
CID 97313157
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
3,6-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furo[2,3-d]pyrimidine-5-carboxamide
CID 55613428
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
5-bromo-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)furan-2-carboxamide
CID 55613442
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
N-[[(2S)-oxolan-2-yl]methyl]-3-propan-2-yl-N-[(3R)-thiolan-3-yl]-1,2-oxazole-5-carboxamide
CID 95376670
5-chloro-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625955
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]isoquinoline-1-carboxamide
CID 95326524
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]-1H-indazole-3-carboxamide
CID 97083953

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide (CID 55613399) is 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide is CCCn1nc(C(=O)N(CC2CCCO2)C2CCSC2)ccc1=O.
What is the InChIKey of 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide?
The InChIKey is JBCYZPQMXUKTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-2-8-20-16(21)6-5-15(18-20)17(22)19(13-7-10-24-12-13)11-14-4-3-9-23-14/h5-6,13-14H,2-4,7-12H2,1H3.
What are the key properties of 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide?
6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(oxolan-2-ylmethyl)-1-propyl-N-(thiolan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 55613399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).