2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide

C21H16N4O — CID 174709617

IUPAC2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide
SMILESNC(=O)c1ccccc1-c1ccn(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C21H16N4O/c22-21(26)19-4-2-1-3-17(19)18-9-14-25(16-7-12-24-13-8-16)20(18)15-5-10-23-11-6-15/h1-14H,(H2,22,26)
InChIKeyBQMLPHMVAOXZJJ-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.70
Rot. Bonds4

About 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide

2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide (PubChem CID 174709617) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide.

Molecular Properties

Compound Name2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide
PubChem CID174709617
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide
SMILESNC(=O)c1ccccc1-c1ccn(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C21H16N4O/c22-21(26)19-4-2-1-3-17(19)18-9-14-25(16-7-12-24-13-8-16)20(18)15-5-10-23-11-6-15/h1-14H,(H2,22,26)
InChIKeyBQMLPHMVAOXZJJ-UHFFFAOYSA-N
XLogP3.70
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,2-dipyridin-4-ylpyrrol-3-yl)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

2-[2-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]benzamide
CID 174564377
2-(5-amino-3-pyridin-4-yl-1,2-oxazol-4-yl)benzamide
CID 174460775
1,2-diphenylpyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 174947147
4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
CID 159949723
2-isoquinolin-5-ylbenzamide
CID 39817654
2-[4-[2-(methylamino)-2-oxoethyl]-1-phenylimidazol-2-yl]-3-pyridin-4-ylbenzamide
CID 175242210
4-[2-[1,2,2-tris(2-pyridin-4-ylphenyl)ethenyl]phenyl]pyridine
CID 123619493
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzamide
CID 139933693
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
2-[2-(1H-pyrazol-5-yl)phenyl]benzamide
CID 69317504
2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
1-(4-fluorophenyl)-2-phenylpyrrole-3-carboxylic acid
CID 77231600

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide?
The IUPAC name of 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide (CID 174709617) is 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide.
What is the SMILES notation for 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide?
The canonical SMILES for 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide is NC(=O)c1ccccc1-c1ccn(-c2ccncc2)c1-c1ccncc1.
What is the InChIKey of 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide?
The InChIKey is BQMLPHMVAOXZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c22-21(26)19-4-2-1-3-17(19)18-9-14-25(16-7-12-24-13-8-16)20(18)15-5-10-23-11-6-15/h1-14H,(H2,22,26).
What are the key properties of 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide?
2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide has a molecular weight of 340.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dipyridin-4-ylpyrrol-3-yl)benzamide is sourced from PubChem (CID 174709617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).