1-phenyl-3-(2-pyridin-4-ylethyl)urea

C14H15N3O — CID 975495

IUPAC1-phenyl-3-(2-pyridin-4-ylethyl)urea
SMILESO=C(NCCc1ccncc1)Nc1ccccc1
InChIInChI=1S/C14H15N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h1-7,9-10H,8,11H2,(H2,16,17,18)
InChIKeySNXFCCCCGJARBD-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.45
Rot. Bonds4

About 1-phenyl-3-(2-pyridin-4-ylethyl)urea

1-phenyl-3-(2-pyridin-4-ylethyl)urea (PubChem CID 975495) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-phenyl-3-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-pyridin-4-ylethyl)urea
PubChem CID975495
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-phenyl-3-(2-pyridin-4-ylethyl)urea
SMILESO=C(NCCc1ccncc1)Nc1ccccc1
InChIInChI=1S/C14H15N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h1-7,9-10H,8,11H2,(H2,16,17,18)
InChIKeySNXFCCCCGJARBD-UHFFFAOYSA-N
XLogP2.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-phenyl-3-(2-pyridin-4-ylethyl)urea (CID 975495) is 1-phenyl-3-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-phenyl-3-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-phenyl-3-(2-pyridin-4-ylethyl)urea is O=C(NCCc1ccncc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-pyridin-4-ylethyl)urea?
The InChIKey is SNXFCCCCGJARBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h1-7,9-10H,8,11H2,(H2,16,17,18).
What are the key properties of 1-phenyl-3-(2-pyridin-4-ylethyl)urea?
1-phenyl-3-(2-pyridin-4-ylethyl)urea has a molecular weight of 241.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 975495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).