1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea

C16H19N3O2 — CID 111470925

IUPAC1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCCC(O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C16H19N3O2/c20-15(13-6-2-1-3-7-13)9-11-18-16(21)19-12-14-8-4-5-10-17-14/h1-8,10,15,20H,9,11-12H2,(H2,18,19,21)
InChIKeyPEKKGIXBRLYVBT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.00
Rot. Bonds6

About 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea

1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 111470925) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID111470925
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCCC(O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C16H19N3O2/c20-15(13-6-2-1-3-7-13)9-11-18-16(21)19-12-14-8-4-5-10-17-14/h1-8,10,15,20H,9,11-12H2,(H2,18,19,21)
InChIKeyPEKKGIXBRLYVBT-UHFFFAOYSA-N
XLogP2.00
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566342
1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111483104
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
2-[(2R)-2-hydroxy-2-phenylethyl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 95329156
1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111833776
1-(3-hydroxy-3-phenylpropyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111481737
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea (CID 111470925) is 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea is O=C(NCCC(O)c1ccccc1)NCc1ccccn1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is PEKKGIXBRLYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(13-6-2-1-3-7-13)9-11-18-16(21)19-12-14-8-4-5-10-17-14/h1-8,10,15,20H,9,11-12H2,(H2,18,19,21).
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea?
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 285.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 111470925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).