3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one

C16H17N3O3 — CID 94823289

IUPAC3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESC[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H17N3O3/c1-11-9-19(16(21)13-7-8-15(20)18-17-13)10-14(22-11)12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyNTAYSKXIWMKIPP-RISCZKNCSA-N
MW299.33 g/mol
LogP1.37
Rot. Bonds2

About 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one

3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one (PubChem CID 94823289) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
PubChem CID94823289
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESC[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H17N3O3/c1-11-9-19(16(21)13-7-8-15(20)18-17-13)10-14(22-11)12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyNTAYSKXIWMKIPP-RISCZKNCSA-N
XLogP1.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methyl-6-phenylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47914673
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766
3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 103709631
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124692496
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one (CID 94823289) is 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one is C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H](c2ccccc2)O1.
What is the InChIKey of 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one?
The InChIKey is NTAYSKXIWMKIPP-RISCZKNCSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-9-19(16(21)13-7-8-15(20)18-17-13)10-14(22-11)12-5-3-2-4-6-12/h2-8,11,14H,9-10H2,1H3,(H,18,20)/t11-,14+/m1/s1.
What are the key properties of 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one?
3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one has a molecular weight of 299.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 94823289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).