2,5,6-tribenzoylpyridine-3-carboxamide

C27H18N2O4 — CID 141443118

IUPAC2,5,6-tribenzoylpyridine-3-carboxamide
SMILESNC(=O)c1cc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)nc1C(=O)c1ccccc1
InChIInChI=1S/C27H18N2O4/c28-27(33)21-16-20(24(30)17-10-4-1-5-11-17)22(25(31)18-12-6-2-7-13-18)29-23(21)26(32)19-14-8-3-9-15-19/h1-16H,(H2,28,33)
InChIKeyGUUQMCASCKUTPJ-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.87
Rot. Bonds7

About 2,5,6-tribenzoylpyridine-3-carboxamide

2,5,6-tribenzoylpyridine-3-carboxamide (PubChem CID 141443118) has the molecular formula C27H18N2O4 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2,5,6-tribenzoylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,5,6-tribenzoylpyridine-3-carboxamide
PubChem CID141443118
Molecular FormulaC27H18N2O4
Molecular Weight434.45 g/mol
Exact Mass434.13
IUPAC Name2,5,6-tribenzoylpyridine-3-carboxamide
SMILESNC(=O)c1cc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)nc1C(=O)c1ccccc1
InChIInChI=1S/C27H18N2O4/c28-27(33)21-16-20(24(30)17-10-4-1-5-11-17)22(25(31)18-12-6-2-7-13-18)29-23(21)26(32)19-14-8-3-9-15-19/h1-16H,(H2,28,33)
InChIKeyGUUQMCASCKUTPJ-UHFFFAOYSA-N
XLogP3.87
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5,6-tribenzoylpyridine-3-carboxamide 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

(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
2-benzoyl-5-methylbenzamide
CID 69123799
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
diphenylmethanone
CID 3102
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
anthracene;diphenylmethanone
CID 87408663
(2-aminophenyl)-phenylmethanone
CID 158207972
4,6-dibenzoylbenzene-1,3-dicarbohydrazide
CID 141129125
CID 67738089
CID 67738089
benzamide;hydron
CID 68819060
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of 2,5,6-tribenzoylpyridine-3-carboxamide?
The IUPAC name of 2,5,6-tribenzoylpyridine-3-carboxamide (CID 141443118) is 2,5,6-tribenzoylpyridine-3-carboxamide.
What is the SMILES notation for 2,5,6-tribenzoylpyridine-3-carboxamide?
The canonical SMILES for 2,5,6-tribenzoylpyridine-3-carboxamide is NC(=O)c1cc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)nc1C(=O)c1ccccc1.
What is the InChIKey of 2,5,6-tribenzoylpyridine-3-carboxamide?
The InChIKey is GUUQMCASCKUTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O4/c28-27(33)21-16-20(24(30)17-10-4-1-5-11-17)22(25(31)18-12-6-2-7-13-18)29-23(21)26(32)19-14-8-3-9-15-19/h1-16H,(H2,28,33).
What are the key properties of 2,5,6-tribenzoylpyridine-3-carboxamide?
2,5,6-tribenzoylpyridine-3-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-tribenzoylpyridine-3-carboxamide is sourced from PubChem (CID 141443118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).