2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene

C40H33N5O4 — CID 139198275

IUPAC2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene
SMILESCc1ccccc1.O=C(Nc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C33H25N5O4.C7H8/c39-30(22-12-3-1-4-13-22)35-24-16-7-9-18-26(24)37-32(41)28-20-11-21-29(34-28)33(42)38-27-19-10-8-17-25(27)36-31(40)23-14-5-2-6-15-23;1-7-5-3-2-4-6-7/h1-21H,(H,35,39)(H,36,40)(H,37,41)(H,38,42);2-6H,1H3
InChIKeyXBCHAJAJGPPTBE-UHFFFAOYSA-N
MW647.74 g/mol
LogP8.09
Rot. Bonds8

About 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene

2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene (PubChem CID 139198275) has the molecular formula C40H33N5O4 and a molecular weight of 647.74 g/mol. Its IUPAC name is 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene.

Molecular Properties

Compound Name2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene
PubChem CID139198275
Molecular FormulaC40H33N5O4
Molecular Weight647.74 g/mol
Exact Mass647.25
IUPAC Name2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene
SMILESCc1ccccc1.O=C(Nc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C33H25N5O4.C7H8/c39-30(22-12-3-1-4-13-22)35-24-16-7-9-18-26(24)37-32(41)28-20-11-21-29(34-28)33(42)38-27-19-10-8-17-25(27)36-31(40)23-14-5-2-6-15-23;1-7-5-3-2-4-6-7/h1-21H,(H,35,39)(H,36,40)(H,37,41)(H,38,42);2-6H,1H3
InChIKeyXBCHAJAJGPPTBE-UHFFFAOYSA-N
XLogP8.09
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.74
LogP ≤ 58.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene 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

6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-[2-(methylamino)phenyl]benzamide
CID 101444547
6-N-(2-methoxyphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100195
6-N-(2-fluorophenyl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100120
N-(2-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31700169
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
2-N-(4-acetylphenyl)-6-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100082
6-N-methyl-2-N-(2-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100039
[3-[[2-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927976
6-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100172

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene?
The IUPAC name of 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene (CID 139198275) is 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene.
What is the SMILES notation for 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene?
The canonical SMILES for 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene is Cc1ccccc1.O=C(Nc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2NC(=O)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene?
The InChIKey is XBCHAJAJGPPTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5O4.C7H8/c39-30(22-12-3-1-4-13-22)35-24-16-7-9-18-26(24)37-32(41)28-20-11-21-29(34-28)33(42)38-27-19-10-8-17-25(27)36-31(40)23-14-5-2-6-15-23;1-7-5-3-2-4-6-7/h1-21H,(H,35,39)(H,36,40)(H,37,41)(H,38,42);2-6H,1H3.
What are the key properties of 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene?
2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene has a molecular weight of 647.74 g/mol, XLogP of 8.09, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide;toluene is sourced from PubChem (CID 139198275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).