3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea

C18H21N3O — CID 47848242

IUPAC3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)NC1CC1
InChIInChI=1S/C18H21N3O/c1-14-5-2-3-7-16(14)13-21(18(22)20-17-8-9-17)12-15-6-4-10-19-11-15/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,20,22)
InChIKeyHIJKWWTWOMZHJO-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.26
Rot. Bonds5

About 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea

3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 47848242) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
PubChem CID47848242
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)NC1CC1
InChIInChI=1S/C18H21N3O/c1-14-5-2-3-7-16(14)13-21(18(22)20-17-8-9-17)12-15-6-4-10-19-11-15/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,20,22)
InChIKeyHIJKWWTWOMZHJO-UHFFFAOYSA-N
XLogP3.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
3-[cyclopropyl-(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 86900844
3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 95278483
1-ethyl-3-(4-hydroxycyclohexyl)-1-[(2-methylphenyl)methyl]urea
CID 110894693
1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
CID 692924
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1437358
1-benzyl-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea
CID 17065496
3-[(3R)-1-ethylpyrrolidin-3-yl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 126422640
3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55983104
N-[(2-methylphenyl)methyl]-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
CID 52725225
3-cyclohexyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 3615223

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea (CID 47848242) is 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea is Cc1ccccc1CN(Cc1cccnc1)C(=O)NC1CC1.
What is the InChIKey of 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is HIJKWWTWOMZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-5-2-3-7-16(14)13-21(18(22)20-17-8-9-17)12-15-6-4-10-19-11-15/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,20,22).
What are the key properties of 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea?
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 295.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 47848242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).