1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea

C20H19N3O3 — CID 2815592

IUPAC1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C20H19N3O3/c1-25-19-12-9-17(13-21-19)23-20(24)22-16-7-10-18(11-8-16)26-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,22,23,24)
InChIKeyBNGSYLQFZPCEHU-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.31
Rot. Bonds6

About 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea

1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 2815592) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID2815592
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C20H19N3O3/c1-25-19-12-9-17(13-21-19)23-20(24)22-16-7-10-18(11-8-16)26-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,22,23,24)
InChIKeyBNGSYLQFZPCEHU-UHFFFAOYSA-N
XLogP4.31
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea (CID 2815592) is 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is BNGSYLQFZPCEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-19-12-9-17(13-21-19)23-20(24)22-16-7-10-18(11-8-16)26-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,22,23,24).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea?
1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 349.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 2815592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).