1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea

C21H21N3O2 — CID 70681396

IUPAC1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1
InChIKeySRRAUFVOVSRECG-FQEVSTJZSA-N
MW347.42 g/mol
LogP3.47
Rot. Bonds6

About 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea

1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea (PubChem CID 70681396) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
PubChem CID70681396
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1
InChIKeySRRAUFVOVSRECG-FQEVSTJZSA-N
XLogP3.47
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 56593240
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
CID 69428404
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97063566
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99703684
1-(1-phenyl-2-propan-2-yloxyethyl)-3-(4-pyridin-4-ylphenyl)urea
CID 167295399
1-(3-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 95980553
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 71906546

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea?
The IUPAC name of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea (CID 70681396) is 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea?
The canonical SMILES for 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea is O=C(Nc1ccc(-c2ccncc2)cc1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea?
The InChIKey is SRRAUFVOVSRECG-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-15-20(14-16-4-2-1-3-5-16)24-21(26)23-19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,25H,14-15H2,(H2,23,24,26)/t20-/m0/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea?
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea has a molecular weight of 347.42 g/mol, XLogP of 3.47, 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-(4-pyridin-4-ylphenyl)urea is sourced from PubChem (CID 70681396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).