1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

C17H21N3O2 — CID 99702199

IUPAC1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCc1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)c(C)n1
InChIInChI=1S/C17H21N3O2/c1-12-8-9-16(13(2)18-12)20-17(22)19-15(11-21)10-14-6-4-3-5-7-14/h3-9,15,21H,10-11H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyFLCLVVAHMMGPNQ-HNNXBMFYSA-N
MW299.37 g/mol
LogP2.42
Rot. Bonds5

About 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (PubChem CID 99702199) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
PubChem CID99702199
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCc1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)c(C)n1
InChIInChI=1S/C17H21N3O2/c1-12-8-9-16(13(2)18-12)20-17(22)19-15(11-21)10-14-6-4-3-5-7-14/h3-9,15,21H,10-11H2,1-2H3,(H2,19,20,22)/t15-/m0/s1
InChIKeyFLCLVVAHMMGPNQ-HNNXBMFYSA-N
XLogP2.42
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 99635583
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 136564699
1-(3-cyano-2-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99825876
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97062858
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97063566
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107831001
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
CID 97261191

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (CID 99702199) is 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is Cc1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)c(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The InChIKey is FLCLVVAHMMGPNQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-8-9-16(13(2)18-12)20-17(22)19-15(11-21)10-14-6-4-3-5-7-14/h3-9,15,21H,10-11H2,1-2H3,(H2,19,20,22)/t15-/m0/s1.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea has a molecular weight of 299.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 99702199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).