1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea

C15H17N3O2 — CID 111450280

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C15H17N3O2/c19-11-9-13(12-6-2-1-3-7-12)17-15(20)18-14-8-4-5-10-16-14/h1-8,10,13,19H,9,11H2,(H2,16,17,18,20)/t13-/m1/s1
InChIKeyNPKINTWJRZKRSD-CYBMUJFWSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds5

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea (PubChem CID 111450280) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
PubChem CID111450280
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C15H17N3O2/c19-11-9-13(12-6-2-1-3-7-12)17-15(20)18-14-8-4-5-10-16-14/h1-8,10,13,19H,9,11H2,(H2,16,17,18,20)/t13-/m1/s1
InChIKeyNPKINTWJRZKRSD-CYBMUJFWSA-N
XLogP2.33
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea
CID 111450045
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
CID 75503769
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
[(1S)-3-hydroxy-1-phenylpropyl]carbamothioic S-acid
CID 142183585
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111453275
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
N'-(3-hydroxy-1-phenylpropyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 86807653
1-hydroxy-3-pyridin-2-ylurea
CID 20612761

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea (CID 111450280) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)N[C@H](CCO)c1ccccc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea?
The InChIKey is NPKINTWJRZKRSD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-11-9-13(12-6-2-1-3-7-12)17-15(20)18-14-8-4-5-10-16-14/h1-8,10,13,19H,9,11H2,(H2,16,17,18,20)/t13-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea has a molecular weight of 271.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 111450280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).