6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid

C19H23N3O3 — CID 122057321

IUPAC6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid
SMILESCN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1cccc(C(=O)O)n1
InChIInChI=1S/C19H23N3O3/c1-21-11-12-25-16(18(21)14-7-4-3-5-8-14)13-22(2)17-10-6-9-15(20-17)19(23)24/h3-10,16,18H,11-13H2,1-2H3,(H,23,24)/t16-,18-/m0/s1
InChIKeyLLEGBVKADIDEDQ-WMZOPIPTSA-N
MW341.41 g/mol
LogP2.29
Rot. Bonds5

About 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid

6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid (PubChem CID 122057321) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid
PubChem CID122057321
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid
SMILESCN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1cccc(C(=O)O)n1
InChIInChI=1S/C19H23N3O3/c1-21-11-12-25-16(18(21)14-7-4-3-5-8-14)13-22(2)17-10-6-9-15(20-17)19(23)24/h3-10,16,18H,11-13H2,1-2H3,(H,23,24)/t16-,18-/m0/s1
InChIKeyLLEGBVKADIDEDQ-WMZOPIPTSA-N
XLogP2.29
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,4-trimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 128988754
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 128986917
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
CID 128983342
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 128980841
N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 132971950
6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 122053743
6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
CID 63700400
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
CID 63009746
2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 128979281
6-[[2-(dimethylamino)phenyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 122057521

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid (CID 122057321) is 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid is CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid?
The InChIKey is LLEGBVKADIDEDQ-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-11-12-25-16(18(21)14-7-4-3-5-8-14)13-22(2)17-10-6-9-15(20-17)19(23)24/h3-10,16,18H,11-13H2,1-2H3,(H,23,24)/t16-,18-/m0/s1.
What are the key properties of 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid?
6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).