[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea

C17H19N3O — CID 69083252

IUPAC[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1
InChIInChI=1S/C17H19N3O/c18-17(21)20-16-11-12(8-9-19-16)10-15(14-6-7-14)13-4-2-1-3-5-13/h1-5,8-9,11,14-15H,6-7,10H2,(H3,18,19,20,21)
InChIKeyFZDGGKMTNOEDKT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.31
Rot. Bonds5

About [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea

[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea (PubChem CID 69083252) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea
PubChem CID69083252
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1
InChIInChI=1S/C17H19N3O/c18-17(21)20-16-11-12(8-9-19-16)10-15(14-6-7-14)13-4-2-1-3-5-13/h1-5,8-9,11,14-15H,6-7,10H2,(H3,18,19,20,21)
InChIKeyFZDGGKMTNOEDKT-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea?
The IUPAC name of [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea (CID 69083252) is [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea.
What is the SMILES notation for [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea?
The canonical SMILES for [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea is NC(=O)Nc1cc(CC(c2ccccc2)C2CC2)ccn1.
What is the InChIKey of [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea?
The InChIKey is FZDGGKMTNOEDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-17(21)20-16-11-12(8-9-19-16)10-15(14-6-7-14)13-4-2-1-3-5-13/h1-5,8-9,11,14-15H,6-7,10H2,(H3,18,19,20,21).
What are the key properties of [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea?
[4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea has a molecular weight of 281.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropyl-2-phenylethyl)-2-pyridinyl]urea is sourced from PubChem (CID 69083252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).