1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea

C17H21N3O — CID 110706279

IUPAC1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
SMILESCC(C)N(Cc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C17H21N3O/c1-14(2)20(13-15-7-4-3-5-8-15)17(21)19-12-16-9-6-10-18-11-16/h3-11,14H,12-13H2,1-2H3,(H,19,21)
InChIKeyBCVDYPLMOQJVIX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.20
Rot. Bonds5

About 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea

1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea (PubChem CID 110706279) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
PubChem CID110706279
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
SMILESCC(C)N(Cc1ccccc1)C(=O)NCc1cccnc1
InChIInChI=1S/C17H21N3O/c1-14(2)20(13-15-7-4-3-5-8-15)17(21)19-12-16-9-6-10-18-11-16/h3-11,14H,12-13H2,1-2H3,(H,19,21)
InChIKeyBCVDYPLMOQJVIX-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
2-[benzyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133149053
(2R)-2-(diethylamino)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 95151104
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
1-benzyl-3-[(2-methoxyphenyl)methyl]-1-propan-2-ylurea
CID 108897327
N-benzyl-N-methyl-3-(pyridin-3-ylmethylamino)propanamide
CID 109020395

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea (CID 110706279) is 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea is CC(C)N(Cc1ccccc1)C(=O)NCc1cccnc1.
What is the InChIKey of 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea?
The InChIKey is BCVDYPLMOQJVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14(2)20(13-15-7-4-3-5-8-15)17(21)19-12-16-9-6-10-18-11-16/h3-11,14H,12-13H2,1-2H3,(H,19,21).
What are the key properties of 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea?
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea has a molecular weight of 283.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 110706279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).