(2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide

C17H20N4O2 — CID 124624060

IUPAC(2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide
SMILESCCc1ccc([C@H]2CN(C(=O)Nc3cccnn3)CCO2)cc1
InChIInChI=1S/C17H20N4O2/c1-2-13-5-7-14(8-6-13)15-12-21(10-11-23-15)17(22)19-16-4-3-9-18-20-16/h3-9,15H,2,10-12H2,1H3,(H,19,20,22)/t15-/m1/s1
InChIKeyLKFRXQSDVHFNIR-OAHLLOKOSA-N
MW312.37 g/mol
LogP2.64
Rot. Bonds3

About (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide

(2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide (PubChem CID 124624060) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide
PubChem CID124624060
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide
SMILESCCc1ccc([C@H]2CN(C(=O)Nc3cccnn3)CCO2)cc1
InChIInChI=1S/C17H20N4O2/c1-2-13-5-7-14(8-6-13)15-12-21(10-11-23-15)17(22)19-16-4-3-9-18-20-16/h3-9,15H,2,10-12H2,1H3,(H,19,20,22)/t15-/m1/s1
InChIKeyLKFRXQSDVHFNIR-OAHLLOKOSA-N
XLogP2.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-ethylphenyl)-N-pyridazin-4-ylmorpholine-4-carboxamide
CID 129488391
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
(2R)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(4-ethylphenyl)morpholine-4-carboxamide
CID 129488275
N-cyclohexyl-2-(4-ethylphenyl)morpholine-4-carboxamide
CID 110364020
(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
4-ethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzamide
CID 16894751
1-[2-(4-ethylphenyl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 110364040
(3,4-difluorophenyl)-[2-(4-ethylphenyl)morpholin-4-yl]methanone
CID 110364027
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 164630726
2-(4-chlorophenyl)-N-(2-ethyl-6-methylphenyl)morpholine-4-carboxamide
CID 87034912

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide (CID 124624060) is (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide is CCc1ccc([C@H]2CN(C(=O)Nc3cccnn3)CCO2)cc1.
What is the InChIKey of (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide?
The InChIKey is LKFRXQSDVHFNIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-13-5-7-14(8-6-13)15-12-21(10-11-23-15)17(22)19-16-4-3-9-18-20-16/h3-9,15H,2,10-12H2,1H3,(H,19,20,22)/t15-/m1/s1.
What are the key properties of (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide?
(2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethylphenyl)-N-pyridazin-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 124624060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).