1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea

C18H21N3O — CID 787769

IUPAC1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C18H21N3O/c1-13(2)14-7-5-8-15(11-14)18(3,4)21-17(22)20-16-9-6-10-19-12-16/h5-12H,1H2,2-4H3,(H2,20,21,22)
InChIKeyFBVUFABWLQVUFJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.17
Rot. Bonds4

About 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea

1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea (PubChem CID 787769) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea
PubChem CID787769
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C18H21N3O/c1-13(2)14-7-5-8-15(11-14)18(3,4)21-17(22)20-16-9-6-10-19-12-16/h5-12H,1H2,2-4H3,(H2,20,21,22)
InChIKeyFBVUFABWLQVUFJ-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea (CID 787769) is 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccnc2)c1.
What is the InChIKey of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea?
The InChIKey is FBVUFABWLQVUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)14-7-5-8-15(11-14)18(3,4)21-17(22)20-16-9-6-10-19-12-16/h5-12H,1H2,2-4H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea?
1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea has a molecular weight of 295.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 787769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).