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

C17H21N3O2 — CID 99635583

IUPAC1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)N[C@H](CO)Cc2ccccc2)n1
InChIInChI=1S/C17H21N3O2/c1-13-6-5-9-15(19-13)11-18-17(22)20-16(12-21)10-14-7-3-2-4-8-14/h2-9,16,21H,10-12H2,1H3,(H2,18,20,22)/t16-/m0/s1
InChIKeyMSWQKLQVOKXAQS-INIZCTEOSA-N
MW299.37 g/mol
LogP1.79
Rot. Bonds6

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

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 99635583) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
PubChem CID99635583
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)N[C@H](CO)Cc2ccccc2)n1
InChIInChI=1S/C17H21N3O2/c1-13-6-5-9-15(19-13)11-18-17(22)20-16(12-21)10-14-7-3-2-4-8-14/h2-9,16,21H,10-12H2,1H3,(H2,18,20,22)/t16-/m0/s1
InChIKeyMSWQKLQVOKXAQS-INIZCTEOSA-N
XLogP1.79
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95288811
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 96543810
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99698465
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55057146
1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702199
(2S,3S)-3-methyl-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 62306858
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 91661830
1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
CID 87008945
(2S)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719224
(2S)-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanedioic acid
CID 62309110
(2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107827478

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea (CID 99635583) is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea is Cc1cccc(CNC(=O)N[C@H](CO)Cc2ccccc2)n1.
What is the InChIKey of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The InChIKey is MSWQKLQVOKXAQS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-6-5-9-15(19-13)11-18-17(22)20-16(12-21)10-14-7-3-2-4-8-14/h2-9,16,21H,10-12H2,1H3,(H2,18,20,22)/t16-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea has a molecular weight of 299.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 99635583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).