3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea

C17H21N3O — CID 110426401

IUPAC3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
SMILESCC(C)CNC(=O)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-14(2)11-19-17(21)20(16-8-4-3-5-9-16)13-15-7-6-10-18-12-15/h3-10,12,14H,11,13H2,1-2H3,(H,19,21)
InChIKeyCAUKZRNXEMPISY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.45
Rot. Bonds5

About 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea

3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 110426401) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
PubChem CID110426401
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
SMILESCC(C)CNC(=O)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-14(2)11-19-17(21)20(16-8-4-3-5-9-16)13-15-7-6-10-18-12-15/h3-10,12,14H,11,13H2,1-2H3,(H,19,21)
InChIKeyCAUKZRNXEMPISY-UHFFFAOYSA-N
XLogP3.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110613046
2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 114144603
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 110360931
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 110619955
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42789348

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea (CID 110426401) is 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea is CC(C)CNC(=O)N(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is CAUKZRNXEMPISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14(2)11-19-17(21)20(16-8-4-3-5-9-16)13-15-7-6-10-18-12-15/h3-10,12,14H,11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea?
3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 283.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 110426401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).