1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea

C18H16N4O2 — CID 118293299

IUPAC1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(Oc2ccncc2)cc1)Nc1ccncc1
InChIInChI=1S/C18H16N4O2/c23-18(22-15-5-9-19-10-6-15)21-13-14-1-3-16(4-2-14)24-17-7-11-20-12-8-17/h1-12H,13H2,(H2,19,21,22,23)
InChIKeyAIZUWCYQHDZOOP-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.59
Rot. Bonds5

About 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea

1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea (PubChem CID 118293299) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
PubChem CID118293299
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(Oc2ccncc2)cc1)Nc1ccncc1
InChIInChI=1S/C18H16N4O2/c23-18(22-15-5-9-19-10-6-15)21-13-14-1-3-16(4-2-14)24-17-7-11-20-12-8-17/h1-12H,13H2,(H2,19,21,22,23)
InChIKeyAIZUWCYQHDZOOP-UHFFFAOYSA-N
XLogP3.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388283
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988
1-(3-chloro-4-methoxyphenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 73388284
1-[(4-pyridin-4-yloxyphenyl)methyl]-3-(2,4,5-trichlorophenyl)urea
CID 73387943
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
CID 53498818
ethyl 4-[(pyridin-4-ylcarbamoylamino)methyl]benzoate
CID 108892768
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
1-[4-[(4-methoxyphenyl)methylsulfanylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 142402036
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea
CID 152746535
1-[4-[(4-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222588

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
The IUPAC name of 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea (CID 118293299) is 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea is O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
The InChIKey is AIZUWCYQHDZOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18(22-15-5-9-19-10-6-15)21-13-14-1-3-16(4-2-14)24-17-7-11-20-12-8-17/h1-12H,13H2,(H2,19,21,22,23).
What are the key properties of 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea?
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea has a molecular weight of 320.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea is sourced from PubChem (CID 118293299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).