4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide

C27H24N4O2 — CID 140758363

IUPAC4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide
SMILESNC(=O)c1ccc(N(Cc2ccccc2-c2ccccc2)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C27H24N4O2/c28-26(32)22-12-14-24(15-13-22)31(27(33)30-18-20-7-6-16-29-17-20)19-23-10-4-5-11-25(23)21-8-2-1-3-9-21/h1-17H,18-19H2,(H2,28,32)(H,30,33)
InChIKeyMGNMIKDRYOTSFU-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.76
Rot. Bonds7

About 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide

4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide (PubChem CID 140758363) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide
PubChem CID140758363
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide
SMILESNC(=O)c1ccc(N(Cc2ccccc2-c2ccccc2)C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C27H24N4O2/c28-26(32)22-12-14-24(15-13-22)31(27(33)30-18-20-7-6-16-29-17-20)19-23-10-4-5-11-25(23)21-8-2-1-3-9-21/h1-17H,18-19H2,(H2,28,32)(H,30,33)
InChIKeyMGNMIKDRYOTSFU-UHFFFAOYSA-N
XLogP4.76
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 158717342
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
CID 110426401
1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
CID 21487121
4-(N-pyridin-3-ylanilino)benzamide
CID 123396260
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
2-[carboxymethyl(pyridin-3-ylmethylcarbamoyl)amino]acetic acid
CID 63645773
2-amino-5-phenyl-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 175375704
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
N-benzyl-3-fluoro-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 46046079

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide?
The IUPAC name of 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide (CID 140758363) is 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide.
What is the SMILES notation for 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide?
The canonical SMILES for 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide is NC(=O)c1ccc(N(Cc2ccccc2-c2ccccc2)C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide?
The InChIKey is MGNMIKDRYOTSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c28-26(32)22-12-14-24(15-13-22)31(27(33)30-18-20-7-6-16-29-17-20)19-23-10-4-5-11-25(23)21-8-2-1-3-9-21/h1-17H,18-19H2,(H2,28,32)(H,30,33).
What are the key properties of 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide?
4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide has a molecular weight of 436.52 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylphenyl)methyl-(pyridin-3-ylmethylcarbamoyl)amino]benzamide is sourced from PubChem (CID 140758363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).