1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea

C16H19N3O — CID 6470487

IUPAC1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCC(C)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O/c1-12(2)14-5-7-15(8-6-14)19-16(20)18-11-13-4-3-9-17-10-13/h3-10,12H,11H2,1-2H3,(H2,18,19,20)
InChIKeyQPEDEZPOXAIOJO-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea

1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 6470487) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID6470487
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCC(C)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H19N3O/c1-12(2)14-5-7-15(8-6-14)19-16(20)18-11-13-4-3-9-17-10-13/h3-10,12H,11H2,1-2H3,(H2,18,19,20)
InChIKeyQPEDEZPOXAIOJO-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea (CID 6470487) is 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea is CC(C)c1ccc(NC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is QPEDEZPOXAIOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(2)14-5-7-15(8-6-14)19-16(20)18-11-13-4-3-9-17-10-13/h3-10,12H,11H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 269.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 6470487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).