N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide

C26H23N3O — CID 164589633

IUPACN-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Nc2ccc(-c3ccccc3)cn2)c1
InChIInChI=1S/C26H23N3O/c30-26(27-17-16-20-8-3-1-4-9-20)22-12-7-13-24(18-22)29-25-15-14-23(19-28-25)21-10-5-2-6-11-21/h1-15,18-19H,16-17H2,(H,27,30)(H,28,29)
InChIKeyVBLPDEMKBGKWTG-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.46
Rot. Bonds7

About N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide

N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide (PubChem CID 164589633) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide
PubChem CID164589633
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC NameN-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Nc2ccc(-c3ccccc3)cn2)c1
InChIInChI=1S/C26H23N3O/c30-26(27-17-16-20-8-3-1-4-9-20)22-12-7-13-24(18-22)29-25-15-14-23(19-28-25)21-10-5-2-6-11-21/h1-15,18-19H,16-17H2,(H,27,30)(H,28,29)
InChIKeyVBLPDEMKBGKWTG-UHFFFAOYSA-N
XLogP5.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
3-[(6-phenylpyridazin-3-yl)amino]-N-(2-pyridin-4-ylethyl)benzamide
CID 167404187
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783
6-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109158603

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide?
The IUPAC name of N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide (CID 164589633) is N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide?
The canonical SMILES for N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide is O=C(NCCc1ccccc1)c1cccc(Nc2ccc(-c3ccccc3)cn2)c1.
What is the InChIKey of N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide?
The InChIKey is VBLPDEMKBGKWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c30-26(27-17-16-20-8-3-1-4-9-20)22-12-7-13-24(18-22)29-25-15-14-23(19-28-25)21-10-5-2-6-11-21/h1-15,18-19H,16-17H2,(H,27,30)(H,28,29).
What are the key properties of N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide?
N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide has a molecular weight of 393.49 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-[(5-phenyl-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 164589633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).