1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea

C21H21N3O — CID 21487121

IUPAC1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
SMILESCN(C(=O)NCc1cccnc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H21N3O/c1-24(21(25)23-16-18-10-7-13-22-15-18)20-12-6-5-11-19(20)14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,23,25)
InChIKeyHDHNMLYLILTVMP-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.02
Rot. Bonds5

About 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea

1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea (PubChem CID 21487121) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
PubChem CID21487121
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
SMILESCN(C(=O)NCc1cccnc1)c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H21N3O/c1-24(21(25)23-16-18-10-7-13-22-15-18)20-12-6-5-11-19(20)14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,23,25)
InChIKeyHDHNMLYLILTVMP-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
1-naphthalen-1-yl-1-oxido-3-(pyridin-3-ylmethyl)urea
CID 21454491
3-[ethyl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61200236
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
N-benzyl-2-methyl-N-[1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]propanamide
CID 133148944
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62689152
(2R)-2-(diethylamino)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 95151104
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea (CID 21487121) is 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea is CN(C(=O)NCc1cccnc1)c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea?
The InChIKey is HDHNMLYLILTVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-24(21(25)23-16-18-10-7-13-22-15-18)20-12-6-5-11-19(20)14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,23,25).
What are the key properties of 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea?
1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea has a molecular weight of 331.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 21487121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).