5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid

C18H18N2O4 — CID 124692496

IUPAC5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
SMILESC[C@H]1CN(C(=O)c2ccc(C(=O)O)nc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C18H18N2O4/c1-12-10-20(11-16(24-12)13-5-3-2-4-6-13)17(21)14-7-8-15(18(22)23)19-9-14/h2-9,12,16H,10-11H2,1H3,(H,22,23)/t12-,16+/m0/s1
InChIKeyANBNHOYTIUHLBD-BLLLJJGKSA-N
MW326.35 g/mol
LogP2.38
Rot. Bonds3

About 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid

5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid (PubChem CID 124692496) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
PubChem CID124692496
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
SMILESC[C@H]1CN(C(=O)c2ccc(C(=O)O)nc2)C[C@H](c2ccccc2)O1
InChIInChI=1S/C18H18N2O4/c1-12-10-20(11-16(24-12)13-5-3-2-4-6-13)17(21)14-7-8-15(18(22)23)19-9-14/h2-9,12,16H,10-11H2,1H3,(H,22,23)/t12-,16+/m0/s1
InChIKeyANBNHOYTIUHLBD-BLLLJJGKSA-N
XLogP2.38
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124694837
5-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 122158408
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766
5-(2-methyl-6-phenylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47914673
(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-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124696561
3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
CID 94823289
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
CID 102934025
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid (CID 124692496) is 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid is C[C@H]1CN(C(=O)c2ccc(C(=O)O)nc2)C[C@H](c2ccccc2)O1.
What is the InChIKey of 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is ANBNHOYTIUHLBD-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-10-20(11-16(24-12)13-5-3-2-4-6-13)17(21)14-7-8-15(18(22)23)19-9-14/h2-9,12,16H,10-11H2,1H3,(H,22,23)/t12-,16+/m0/s1.
What are the key properties of 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid?
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 124692496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).