1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C19H23N3O — CID 4606887

IUPAC1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C19H23N3O/c1-13(2)15-7-6-8-16(11-15)19(4,5)22-18(23)21-17-10-9-14(3)12-20-17/h6-12H,1H2,2-5H3,(H2,20,21,22,23)
InChIKeyOKNIIUVVBUDOKV-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.48
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 4606887) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID4606887
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C19H23N3O/c1-13(2)15-7-6-8-16(11-15)19(4,5)22-18(23)21-17-10-9-14(3)12-20-17/h6-12H,1H2,2-5H3,(H2,20,21,22,23)
InChIKeyOKNIIUVVBUDOKV-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 4606887) is 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(C)cn2)c1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is OKNIIUVVBUDOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13(2)15-7-6-8-16(11-15)19(4,5)22-18(23)21-17-10-9-14(3)12-20-17/h6-12H,1H2,2-5H3,(H2,20,21,22,23).
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 309.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 4606887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).