N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide

C17H27N5O2 — CID 95277235

IUPACN-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide
SMILESCc1cc(C)n(C[C@@H]2CN(CC(=O)N(C)C(C)(C)C#N)CCO2)n1
InChIInChI=1S/C17H27N5O2/c1-13-8-14(2)22(19-13)10-15-9-21(6-7-24-15)11-16(23)20(5)17(3,4)12-18/h8,15H,6-7,9-11H2,1-5H3/t15-/m0/s1
InChIKeySRIJLYTYLPJHQB-HNNXBMFYSA-N
MW333.44 g/mol
LogP0.96
Rot. Bonds5

About N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide

N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide (PubChem CID 95277235) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide
PubChem CID95277235
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide
SMILESCc1cc(C)n(C[C@@H]2CN(CC(=O)N(C)C(C)(C)C#N)CCO2)n1
InChIInChI=1S/C17H27N5O2/c1-13-8-14(2)22(19-13)10-15-9-21(6-7-24-15)11-16(23)20(5)17(3,4)12-18/h8,15H,6-7,9-11H2,1-5H3/t15-/m0/s1
InChIKeySRIJLYTYLPJHQB-HNNXBMFYSA-N
XLogP0.96
TPSA74.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide with MolForge

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Related Compounds

1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95299136
3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 95274181
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 86895544
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86895534
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-5-fluorobenzonitrile
CID 95275062
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
4-amino-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pentan-1-one
CID 120565469
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95276399
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704456
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95276284

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide (CID 95277235) is N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide is Cc1cc(C)n(C[C@@H]2CN(CC(=O)N(C)C(C)(C)C#N)CCO2)n1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide?
The InChIKey is SRIJLYTYLPJHQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13-8-14(2)22(19-13)10-15-9-21(6-7-24-15)11-16(23)20(5)17(3,4)12-18/h8,15H,6-7,9-11H2,1-5H3/t15-/m0/s1.
What are the key properties of N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide?
N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide has a molecular weight of 333.44 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-methylacetamide is sourced from PubChem (CID 95277235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).