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

C15H17N3O — CID 45147289

IUPAC1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
SMILESCc1ccc(NC(=O)NC(C)c2ccncc2)cc1
InChIInChI=1S/C15H17N3O/c1-11-3-5-14(6-4-11)18-15(19)17-12(2)13-7-9-16-10-8-13/h3-10,12H,1-2H3,(H2,17,18,19)
InChIKeyHCMRGJLNNIXTJD-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.27
Rot. Bonds3

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

1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea (PubChem CID 45147289) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
PubChem CID45147289
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
SMILESCc1ccc(NC(=O)NC(C)c2ccncc2)cc1
InChIInChI=1S/C15H17N3O/c1-11-3-5-14(6-4-11)18-15(19)17-12(2)13-7-9-16-10-8-13/h3-10,12H,1-2H3,(H2,17,18,19)
InChIKeyHCMRGJLNNIXTJD-UHFFFAOYSA-N
XLogP3.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-methylphenyl)urea
CID 25339932
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279
1-(2,4-dimethylphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 40637085
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
1-(2-bromo-4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 47195644
1-(3-fluoro-4-methylphenyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 17087489
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 61340581

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea (CID 45147289) is 1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea is Cc1ccc(NC(=O)NC(C)c2ccncc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is HCMRGJLNNIXTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-3-5-14(6-4-11)18-15(19)17-12(2)13-7-9-16-10-8-13/h3-10,12H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea?
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 255.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 45147289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).