1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea

C18H21N3O — CID 126776285

IUPAC1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)NC(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C18H21N3O/c1-13-9-10-19-17(11-13)21-18(22)20-16(15-7-8-15)12-14-5-3-2-4-6-14/h2-6,9-11,15-16H,7-8,12H2,1H3,(H2,19,20,21,22)
InChIKeyWEVAAYZRUMNYGV-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.53
Rot. Bonds5

About 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea

1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea (PubChem CID 126776285) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
PubChem CID126776285
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)NC(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C18H21N3O/c1-13-9-10-19-17(11-13)21-18(22)20-16(15-7-8-15)12-14-5-3-2-4-6-14/h2-6,9-11,15-16H,7-8,12H2,1H3,(H2,19,20,21,22)
InChIKeyWEVAAYZRUMNYGV-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
CID 75503769
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
2-(cyclopropylamino)-N-(4-methyl-2-pyridinyl)acetamide
CID 60842851
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
5-[(1-cyclopropyl-2-phenylethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685714
2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide
CID 1094082
1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55992027
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea (CID 126776285) is 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea is Cc1ccnc(NC(=O)NC(Cc2ccccc2)C2CC2)c1.
What is the InChIKey of 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is WEVAAYZRUMNYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-9-10-19-17(11-13)21-18(22)20-16(15-7-8-15)12-14-5-3-2-4-6-14/h2-6,9-11,15-16H,7-8,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea?
1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 295.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-phenylethyl)-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 126776285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).