1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea

C15H17N3O — CID 770306

IUPAC1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C15H17N3O/c1-12-5-7-14(8-6-12)18-15(19)17-11-9-13-4-2-3-10-16-13/h2-8,10H,9,11H2,1H3,(H2,17,18,19)
InChIKeyOOHYBAFRTBWMEE-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea

1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea (PubChem CID 770306) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
PubChem CID770306
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
SMILESCc1ccc(NC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C15H17N3O/c1-12-5-7-14(8-6-12)18-15(19)17-11-9-13-4-2-3-10-16-13/h2-8,10H,9,11H2,1H3,(H2,17,18,19)
InChIKeyOOHYBAFRTBWMEE-UHFFFAOYSA-N
XLogP2.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 75520831
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-pyridin-2-ylethyl)urea
CID 47032533
1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
CID 75514707
2-hydroxy-2-methyl-N-(4-methylphenyl)-4-pyridin-2-ylbutanamide
CID 58860970
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60545752
2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]benzamide
CID 10158321
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
CID 48544874
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea (CID 770306) is 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea is Cc1ccc(NC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is OOHYBAFRTBWMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-5-7-14(8-6-12)18-15(19)17-11-9-13-4-2-3-10-16-13/h2-8,10H,9,11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea?
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 255.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 770306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).