[4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea

C15H17N3O2 — CID 69081585

IUPAC[4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea
SMILESCC(O)(Cc1ccnc(NC(N)=O)c1)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-15(20,12-5-3-2-4-6-12)10-11-7-8-17-13(9-11)18-14(16)19/h2-9,20H,10H2,1H3,(H3,16,17,18,19)
InChIKeyUDKFABGPBCVIFO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.02
Rot. Bonds4

About [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea

[4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea (PubChem CID 69081585) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea
PubChem CID69081585
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea
SMILESCC(O)(Cc1ccnc(NC(N)=O)c1)c1ccccc1
InChIInChI=1S/C15H17N3O2/c1-15(20,12-5-3-2-4-6-12)10-11-7-8-17-13(9-11)18-14(16)19/h2-9,20H,10H2,1H3,(H3,16,17,18,19)
InChIKeyUDKFABGPBCVIFO-UHFFFAOYSA-N
XLogP2.02
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea?
The IUPAC name of [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea (CID 69081585) is [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea.
What is the SMILES notation for [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea?
The canonical SMILES for [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea is CC(O)(Cc1ccnc(NC(N)=O)c1)c1ccccc1.
What is the InChIKey of [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea?
The InChIKey is UDKFABGPBCVIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(20,12-5-3-2-4-6-12)10-11-7-8-17-13(9-11)18-14(16)19/h2-9,20H,10H2,1H3,(H3,16,17,18,19).
What are the key properties of [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea?
[4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea has a molecular weight of 271.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-phenylpropyl)-2-pyridinyl]urea is sourced from PubChem (CID 69081585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).