1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea

C15H17N3O — CID 38157149

IUPAC1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H17N3O/c19-15(18-12-14-7-4-9-16-11-14)17-10-8-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H2,17,18,19)
InChIKeyYNVFORBFJTVSKC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.12
Rot. Bonds5

About 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea

1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 38157149) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID38157149
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCCc1ccccc1)NCc1cccnc1
InChIInChI=1S/C15H17N3O/c19-15(18-12-14-7-4-9-16-11-14)17-10-8-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H2,17,18,19)
InChIKeyYNVFORBFJTVSKC-UHFFFAOYSA-N
XLogP2.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60620242
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983
2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381322
(2S)-2-hydroxy-4-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 169192519
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea (CID 38157149) is 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCCc1ccccc1)NCc1cccnc1.
What is the InChIKey of 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is YNVFORBFJTVSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(18-12-14-7-4-9-16-11-14)17-10-8-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H2,17,18,19).
What are the key properties of 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea?
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 255.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 38157149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).