N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide

C28H26N4O2 — CID 67078760

IUPACN-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
SMILESNc1ncccc1NC(=O)c1ccc(CNC(=O)CCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C28H26N4O2/c29-27-25(10-5-17-30-27)32-28(34)23-14-11-21(12-15-23)19-31-26(33)16-13-20-6-4-9-24(18-20)22-7-2-1-3-8-22/h1-12,14-15,17-18H,13,16,19H2,(H2,29,30)(H,31,33)(H,32,34)
InChIKeyAMRMGUWVZBSSPW-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.83
Rot. Bonds8

About N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide

N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide (PubChem CID 67078760) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
PubChem CID67078760
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide
SMILESNc1ncccc1NC(=O)c1ccc(CNC(=O)CCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C28H26N4O2/c29-27-25(10-5-17-30-27)32-28(34)23-14-11-21(12-15-23)19-31-26(33)16-13-20-6-4-9-24(18-20)22-7-2-1-3-8-22/h1-12,14-15,17-18H,13,16,19H2,(H2,29,30)(H,31,33)(H,32,34)
InChIKeyAMRMGUWVZBSSPW-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

Analyze N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-3-pyridinyl)-4-[[3-(4-methylphenyl)propanoylamino]methyl]benzamide
CID 44594255
N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
CID 44595113
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-amino-3-pyridinyl)-4-[[(4-nitrophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594967
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
4-[[3-[4-(aminomethyl)phenyl]propanoylamino]methyl]-N-(2-amino-4-pyridinyl)benzamide
CID 174591316
N-(2-amino-3-pyridinyl)-4-[[3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]methyl]benzamide
CID 67078706
N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
CID 25156531
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
N-(2-amino-3-pyridinyl)-4-[[3-(4-nitrophenyl)prop-2-enoylamino]methyl]benzamide
CID 67078369
N-(2-amino-5-phenyl-3-pyridinyl)-4-propylbenzamide
CID 126722806

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide?
The IUPAC name of N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide (CID 67078760) is N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide?
The canonical SMILES for N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide is Nc1ncccc1NC(=O)c1ccc(CNC(=O)CCc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide?
The InChIKey is AMRMGUWVZBSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c29-27-25(10-5-17-30-27)32-28(34)23-14-11-21(12-15-23)19-31-26(33)16-13-20-6-4-9-24(18-20)22-7-2-1-3-8-22/h1-12,14-15,17-18H,13,16,19H2,(H2,29,30)(H,31,33)(H,32,34).
What are the key properties of N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide?
N-(2-amino-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]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-3-pyridinyl)-4-[[3-(3-phenylphenyl)propanoylamino]methyl]benzamide is sourced from PubChem (CID 67078760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).