3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide

C24H20N4O2 — CID 109108326

IUPAC3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)Nc3cccc4cccnc34)c2)cc1C
InChIInChI=1S/C24H20N4O2/c1-15-8-9-20(11-16(15)2)27-23(29)18-12-19(14-25-13-18)24(30)28-21-7-3-5-17-6-4-10-26-22(17)21/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyZGHMMLJGTJJLKA-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.75
Rot. Bonds4

About 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide

3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide (PubChem CID 109108326) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
PubChem CID109108326
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cncc(C(=O)Nc3cccc4cccnc34)c2)cc1C
InChIInChI=1S/C24H20N4O2/c1-15-8-9-20(11-16(15)2)27-23(29)18-12-19(14-25-13-18)24(30)28-21-7-3-5-17-6-4-10-26-22(17)21/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChIKeyZGHMMLJGTJJLKA-UHFFFAOYSA-N
XLogP4.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109242937
3-N-(2-methoxyphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108883
3-N-(3,4-dimethylphenyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107846
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108315
5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109105406
5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109244039
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269168
5-(4-methylpiperidine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109103274
5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108317

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide (CID 109108326) is 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide is Cc1ccc(NC(=O)c2cncc(C(=O)Nc3cccc4cccnc34)c2)cc1C.
What is the InChIKey of 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide?
The InChIKey is ZGHMMLJGTJJLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-8-9-20(11-16(15)2)27-23(29)18-12-19(14-25-13-18)24(30)28-21-7-3-5-17-6-4-10-26-22(17)21/h3-14H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide?
3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109108326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).