1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

C19H23N3O2 — CID 2333101

IUPAC1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(OC)nc2)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)14-7-6-8-15(11-14)19(3,4)22-18(23)21-16-9-10-17(24-5)20-12-16/h6-12H,1H2,2-5H3,(H2,21,22,23)
InChIKeyNEESLYVREJUFDE-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.18
Rot. Bonds5

About 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (PubChem CID 2333101) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
PubChem CID2333101
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(OC)nc2)c1
InChIInChI=1S/C19H23N3O2/c1-13(2)14-7-6-8-15(11-14)19(3,4)22-18(23)21-16-9-10-17(24-5)20-12-16/h6-12H,1H2,2-5H3,(H2,21,22,23)
InChIKeyNEESLYVREJUFDE-UHFFFAOYSA-N
XLogP4.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea (CID 2333101) is 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(OC)nc2)c1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
The InChIKey is NEESLYVREJUFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(2)14-7-6-8-15(11-14)19(3,4)22-18(23)21-16-9-10-17(24-5)20-12-16/h6-12H,1H2,2-5H3,(H2,21,22,23).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea?
1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea has a molecular weight of 325.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 2333101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).