1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea

C21H21N3O2 — CID 2811862

IUPAC1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
SMILESCCc1ccnc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-2-16-12-13-22-20(14-16)24-21(25)23-18-8-10-19(11-9-18)26-15-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3,(H2,22,23,24,25)
InChIKeyPJFNIGHEWAOXOX-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.87
Rot. Bonds6

About 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea

1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 2811862) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID2811862
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
SMILESCCc1ccnc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-2-16-12-13-22-20(14-16)24-21(25)23-18-8-10-19(11-9-18)26-15-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3,(H2,22,23,24,25)
InChIKeyPJFNIGHEWAOXOX-UHFFFAOYSA-N
XLogP4.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea (CID 2811862) is 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea is CCc1ccnc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is PJFNIGHEWAOXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-2-16-12-13-22-20(14-16)24-21(25)23-18-8-10-19(11-9-18)26-15-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3,(H2,22,23,24,25).
What are the key properties of 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 347.42 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 2811862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).