N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide

C28H26N4O2 — CID 25157660

IUPACN-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(H,31,33)(H,32,34)
InChIKeyKZSQGUCOPQRCMU-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.83
Rot. Bonds8

About N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide

N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide (PubChem CID 25157660) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide
PubChem CID25157660
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(H,31,33)(H,32,34)
InChIKeyKZSQGUCOPQRCMU-UHFFFAOYSA-N
XLogP4.83
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide (CID 25157660) is N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide?
The InChIKey is KZSQGUCOPQRCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(H,31,33)(H,32,34).
What are the key properties of N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide?
N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-4-[(3-pyridin-3-ylpropanoylamino)methyl]benzamide is sourced from PubChem (CID 25157660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).