3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide

C26H21N3O2 — CID 174385428

IUPAC3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide
SMILESNc1cccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1Cc1ccncc1
InChIInChI=1S/C26H21N3O2/c27-24-11-5-10-22(23(24)16-18-12-14-28-15-13-18)26(31)29-21-9-4-8-20(17-21)25(30)19-6-2-1-3-7-19/h1-15,17H,16,27H2,(H,29,31)
InChIKeyGOKSZFNTKUDAJN-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.74
Rot. Bonds6

About 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide

3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide (PubChem CID 174385428) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide
PubChem CID174385428
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide
SMILESNc1cccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1Cc1ccncc1
InChIInChI=1S/C26H21N3O2/c27-24-11-5-10-22(23(24)16-18-12-14-28-15-13-18)26(31)29-21-9-4-8-20(17-21)25(30)19-6-2-1-3-7-19/h1-15,17H,16,27H2,(H,29,31)
InChIKeyGOKSZFNTKUDAJN-UHFFFAOYSA-N
XLogP4.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide
CID 174384662
3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 174385427
3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide
CID 174384154
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701
3-benzoyl-N-phenylpyridine-4-carboxamide
CID 14761571
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
N-(3-benzoylphenyl)-9-oxofluorene-1-carboxamide
CID 141027616
2-amino-N-(3-anilinophenyl)benzamide
CID 155671979
3-amino-2-benzylbenzenecarbothioic S-acid
CID 22403388
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide (CID 174385428) is 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide is Nc1cccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)c1Cc1ccncc1.
What is the InChIKey of 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide?
The InChIKey is GOKSZFNTKUDAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c27-24-11-5-10-22(23(24)16-18-12-14-28-15-13-18)26(31)29-21-9-4-8-20(17-21)25(30)19-6-2-1-3-7-19/h1-15,17H,16,27H2,(H,29,31).
What are the key properties of 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide?
3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide has a molecular weight of 407.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 174385428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).