6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one

C17H22N2O3 — CID 124721801

IUPAC6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one
SMILESCN(C[C@@H](O)COCc1ccccc1)c1cccc(=O)n1C
InChIInChI=1S/C17H22N2O3/c1-18(16-9-6-10-17(21)19(16)2)11-15(20)13-22-12-14-7-4-3-5-8-14/h3-10,15,20H,11-13H2,1-2H3/t15-/m1/s1
InChIKeyAIJFZOPJUPCJMN-OAHLLOKOSA-N
MW302.37 g/mol
LogP1.40
Rot. Bonds7

About 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one

6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one (PubChem CID 124721801) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one
PubChem CID124721801
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one
SMILESCN(C[C@@H](O)COCc1ccccc1)c1cccc(=O)n1C
InChIInChI=1S/C17H22N2O3/c1-18(16-9-6-10-17(21)19(16)2)11-15(20)13-22-12-14-7-4-3-5-8-14/h3-10,15,20H,11-13H2,1-2H3/t15-/m1/s1
InChIKeyAIJFZOPJUPCJMN-OAHLLOKOSA-N
XLogP1.40
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
methyl 4-[(2-hydroxy-3-phenylmethoxypropyl)-methylamino]benzoate
CID 3810253
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
(2R)-1-[2-bromoprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629005
(2S)-1-[2-chloroprop-2-enyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 95629006
2-phenylmethoxyethane-1,1-diol
CID 59866645
3-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]pyrazine-2-carbonitrile
CID 95623485
3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079416
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one?
The IUPAC name of 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one (CID 124721801) is 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one is CN(C[C@@H](O)COCc1ccccc1)c1cccc(=O)n1C.
What is the InChIKey of 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one?
The InChIKey is AIJFZOPJUPCJMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18(16-9-6-10-17(21)19(16)2)11-15(20)13-22-12-14-7-4-3-5-8-14/h3-10,15,20H,11-13H2,1-2H3/t15-/m1/s1.
What are the key properties of 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one?
6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 124721801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).