1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

C20H16N4O2 — CID 11638757

IUPAC1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H16N4O2/c21-13-15-8-10-17(11-9-15)23-20(25)24-19-18(7-4-12-22-19)26-14-16-5-2-1-3-6-16/h1-12H,14H2,(H2,22,23,24,25)
InChIKeyQOTHDTQGWJETKG-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.18
Rot. Bonds5

About 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 11638757) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID11638757
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESN#Cc1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1
InChIInChI=1S/C20H16N4O2/c21-13-15-8-10-17(11-9-15)23-20(25)24-19-18(7-4-12-22-19)26-14-16-5-2-1-3-6-16/h1-12H,14H2,(H2,22,23,24,25)
InChIKeyQOTHDTQGWJETKG-UHFFFAOYSA-N
XLogP4.18
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 11638757) is 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is N#Cc1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is QOTHDTQGWJETKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-13-15-8-10-17(11-9-15)23-20(25)24-19-18(7-4-12-22-19)26-14-16-5-2-1-3-6-16/h1-12H,14H2,(H2,22,23,24,25).
What are the key properties of 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 344.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 11638757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).