1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea

C15H17N3O3 — CID 94028409

IUPAC1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NC[C@@H](O)c2ccccc2)cn1
InChIInChI=1S/C15H17N3O3/c1-21-14-8-7-12(9-16-14)18-15(20)17-10-13(19)11-5-3-2-4-6-11/h2-9,13,19H,10H2,1H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyYUIRFCGILIFGMG-CYBMUJFWSA-N
MW287.32 g/mol
LogP1.95
Rot. Bonds5

About 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea

1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 94028409) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
PubChem CID94028409
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)NC[C@@H](O)c2ccccc2)cn1
InChIInChI=1S/C15H17N3O3/c1-21-14-8-7-12(9-16-14)18-15(20)17-10-13(19)11-5-3-2-4-6-11/h2-9,13,19H,10H2,1H3,(H2,17,18,20)/t13-/m1/s1
InChIKeyYUIRFCGILIFGMG-CYBMUJFWSA-N
XLogP1.95
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162609
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
N-(6-methoxy-3-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 46489256
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
CID 107020855
N'-(6-methoxy-3-pyridinyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylethyl]oxamide
CID 51971264
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
1-[[(6-methoxy-3-pyridinyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433896
5-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 82847806

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea (CID 94028409) is 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea is COc1ccc(NC(=O)NC[C@@H](O)c2ccccc2)cn1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is YUIRFCGILIFGMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-14-8-7-12(9-16-14)18-15(20)17-10-13(19)11-5-3-2-4-6-11/h2-9,13,19H,10H2,1H3,(H2,17,18,20)/t13-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea?
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 287.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 94028409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).