N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide

C17H20N4OS — CID 97326064

IUPACN-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCS[C@@H](c3ccccc3)C2)nn1
InChIInChI=1S/C17H20N4OS/c1-2-18-17(22)14-8-9-16(20-19-14)21-10-11-23-15(12-21)13-6-4-3-5-7-13/h3-9,15H,2,10-12H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyJXCUDQPPGKCHAN-OAHLLOKOSA-N
MW328.44 g/mol
LogP2.52
Rot. Bonds4

About N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide

N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide (PubChem CID 97326064) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide
PubChem CID97326064
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCS[C@@H](c3ccccc3)C2)nn1
InChIInChI=1S/C17H20N4OS/c1-2-18-17(22)14-8-9-16(20-19-14)21-10-11-23-15(12-21)13-6-4-3-5-7-13/h3-9,15H,2,10-12H2,1H3,(H,18,22)/t15-/m1/s1
InChIKeyJXCUDQPPGKCHAN-OAHLLOKOSA-N
XLogP2.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113254513
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971
N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113282123
N-methyl-6-(2-methylthiomorpholin-4-yl)pyridazine-3-carboxamide
CID 133329365
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
N-methyl-6-(3-phenylpyrrolidin-1-yl)pyridazine-3-carboxamide
CID 133342994
N-ethyl-6-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]pyridazine-3-carboxamide
CID 97340602
N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 138043527
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
6-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116486
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide (CID 97326064) is N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide is CCNC(=O)c1ccc(N2CCS[C@@H](c3ccccc3)C2)nn1.
What is the InChIKey of N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide?
The InChIKey is JXCUDQPPGKCHAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-2-18-17(22)14-8-9-16(20-19-14)21-10-11-23-15(12-21)13-6-4-3-5-7-13/h3-9,15H,2,10-12H2,1H3,(H,18,22)/t15-/m1/s1.
What are the key properties of N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide?
N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 97326064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).