1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

C16H18ClN3O2 — CID 99698465

IUPAC1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESO=C(NCc1ccc(Cl)cn1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H18ClN3O2/c17-13-6-7-14(18-9-13)10-19-16(22)20-15(11-21)8-12-4-2-1-3-5-12/h1-7,9,15,21H,8,10-11H2,(H2,19,20,22)/t15-/m0/s1
InChIKeyRALUVNXTAOJZEN-HNNXBMFYSA-N
MW319.79 g/mol
LogP2.14
Rot. Bonds6

About 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (PubChem CID 99698465) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
PubChem CID99698465
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESO=C(NCc1ccc(Cl)cn1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H18ClN3O2/c17-13-6-7-14(18-9-13)10-19-16(22)20-15(11-21)8-12-4-2-1-3-5-12/h1-7,9,15,21H,8,10-11H2,(H2,19,20,22)/t15-/m0/s1
InChIKeyRALUVNXTAOJZEN-HNNXBMFYSA-N
XLogP2.14
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 99635583
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 96543810
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 95288811
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 91661830
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(2-methylprop-2-enyl)urea
CID 91650522
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 114010232
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618194
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (CID 99698465) is 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is O=C(NCc1ccc(Cl)cn1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The InChIKey is RALUVNXTAOJZEN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-13-6-7-14(18-9-13)10-19-16(22)20-15(11-21)8-12-4-2-1-3-5-12/h1-7,9,15,21H,8,10-11H2,(H2,19,20,22)/t15-/m0/s1.
What are the key properties of 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea has a molecular weight of 319.79 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)methyl]-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 99698465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).