1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea

C28H25N3O2 — CID 158717342

IUPAC1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(C(=O)Cc2ccccc2-c2ccccc2)cc1)NCc1cccnc1
InChIInChI=1S/C28H25N3O2/c32-27(17-25-10-4-5-11-26(25)23-8-2-1-3-9-23)24-14-12-21(13-15-24)19-30-28(33)31-20-22-7-6-16-29-18-22/h1-16,18H,17,19-20H2,(H2,30,31,33)
InChIKeyIJMAHMMAAXBDFG-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.17
Rot. Bonds8

About 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea

1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 158717342) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID158717342
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(C(=O)Cc2ccccc2-c2ccccc2)cc1)NCc1cccnc1
InChIInChI=1S/C28H25N3O2/c32-27(17-25-10-4-5-11-26(25)23-8-2-1-3-9-23)24-14-12-21(13-15-24)19-30-28(33)31-20-22-7-6-16-29-18-22/h1-16,18H,17,19-20H2,(H2,30,31,33)
InChIKeyIJMAHMMAAXBDFG-UHFFFAOYSA-N
XLogP5.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 801778
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1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
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N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
hexane-2,5-dione;pyridin-3-ylmethyl N-[[4-[2-(2-aminophenyl)acetyl]phenyl]methyl]carbamate
CID 159196791
2-chloro-3-[[4-(2-pyridin-3-ylacetyl)phenyl]methylamino]naphthalene-1,4-dione
CID 159017337
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea (CID 158717342) is 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea is O=C(NCc1ccc(C(=O)Cc2ccccc2-c2ccccc2)cc1)NCc1cccnc1.
What is the InChIKey of 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is IJMAHMMAAXBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c32-27(17-25-10-4-5-11-26(25)23-8-2-1-3-9-23)24-14-12-21(13-15-24)19-30-28(33)31-20-22-7-6-16-29-18-22/h1-16,18H,17,19-20H2,(H2,30,31,33).
What are the key properties of 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea?
1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 435.53 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 158717342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).