(2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide

C17H24N4O2 — CID 99829307

IUPAC(2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide
SMILESCCn1ncc2ccc(NC(=O)N3CCO[C@@](C)(CC)C3)cc21
InChIInChI=1S/C17H24N4O2/c1-4-17(3)12-20(8-9-23-17)16(22)19-14-7-6-13-11-18-21(5-2)15(13)10-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,22)/t17-/m0/s1
InChIKeyQUIVMPQWMPRGMT-KRWDZBQOSA-N
MW316.41 g/mol
LogP3.09
Rot. Bonds3

About (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide

(2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide (PubChem CID 99829307) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide
PubChem CID99829307
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name(2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide
SMILESCCn1ncc2ccc(NC(=O)N3CCO[C@@](C)(CC)C3)cc21
InChIInChI=1S/C17H24N4O2/c1-4-17(3)12-20(8-9-23-17)16(22)19-14-7-6-13-11-18-21(5-2)15(13)10-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,22)/t17-/m0/s1
InChIKeyQUIVMPQWMPRGMT-KRWDZBQOSA-N
XLogP3.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)morpholine-4-carboxamide
CID 126788335
(2R)-2-ethyl-2-methyl-N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]morpholine-4-carboxamide
CID 99829913
N-(1-ethylindazol-6-yl)-2-(methylamino)acetamide;hydrochloride
CID 119752857
N-(1-ethylindazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119305675
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-4-carboxamide
CID 126781000
ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
CID 72889347
2-amino-N-(1-ethylindazol-6-yl)pentanamide;hydrochloride
CID 119305696
(2S,5R)-5-(aminomethyl)-N-(1-ethylindazol-6-yl)oxolane-2-carboxamide
CID 120790106
(2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99857608
(2R)-2-ethyl-2-methyl-N-(1H-pyrazol-5-ylmethyl)morpholine-4-carboxamide
CID 99825094
1-(1-ethylindazol-6-yl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 99816453
(2R)-2-ethyl-2-methyl-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 99789877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide (CID 99829307) is (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide is CCn1ncc2ccc(NC(=O)N3CCO[C@@](C)(CC)C3)cc21.
What is the InChIKey of (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide?
The InChIKey is QUIVMPQWMPRGMT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-17(3)12-20(8-9-23-17)16(22)19-14-7-6-13-11-18-21(5-2)15(13)10-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,22)/t17-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide?
(2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-(1-ethylindazol-6-yl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99829307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).