1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea

C17H21N3O2 — CID 108879684

IUPAC1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C17H21N3O2/c1-3-4-14-6-8-15(9-7-14)22-12-19-17(21)20-16-10-5-13(2)11-18-16/h5-11H,3-4,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyLHJXGZHDDGFKMK-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.50
Rot. Bonds6

About 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea

1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea (PubChem CID 108879684) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
PubChem CID108879684
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
SMILESCCCc1ccc(OCNC(=O)Nc2ccc(C)cn2)cc1
InChIInChI=1S/C17H21N3O2/c1-3-4-14-6-8-15(9-7-14)22-12-19-17(21)20-16-10-5-13(2)11-18-16/h5-11H,3-4,12H2,1-2H3,(H2,18,19,20,21)
InChIKeyLHJXGZHDDGFKMK-UHFFFAOYSA-N
XLogP3.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879647
1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879448
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879503
1-(4-methyl-1,3-thiazol-2-yl)-3-[(4-propylphenoxy)methyl]urea
CID 108879471
1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108878565
1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879664
1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879472
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
CID 108879533
1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea (CID 108879684) is 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea is CCCc1ccc(OCNC(=O)Nc2ccc(C)cn2)cc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea?
The InChIKey is LHJXGZHDDGFKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-4-14-6-8-15(9-7-14)22-12-19-17(21)20-16-10-5-13(2)11-18-16/h5-11H,3-4,12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea?
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea has a molecular weight of 299.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea is sourced from PubChem (CID 108879684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).