2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide

C23H23N3O3 — CID 109094361

IUPAC2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H23N3O3/c1-2-3-16-24-22(27)19-13-9-14-20(25-19)23(28)26-18-12-7-8-15-21(18)29-17-10-5-4-6-11-17/h4-15H,2-3,16H2,1H3,(H,24,27)(H,26,28)
InChIKeyFWMXQJFBOHATKS-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.66
Rot. Bonds8

About 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide

2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109094361) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide
PubChem CID109094361
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C23H23N3O3/c1-2-3-16-24-22(27)19-13-9-14-20(25-19)23(28)26-18-12-7-8-15-21(18)29-17-10-5-4-6-11-17/h4-15H,2-3,16H2,1H3,(H,24,27)(H,26,28)
InChIKeyFWMXQJFBOHATKS-UHFFFAOYSA-N
XLogP4.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109296477
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300
6-N-(4-phenoxyphenyl)-2-N-propylpyridine-2,6-dicarboxamide
CID 109093578
6-N-(2-methoxyphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098461
6-N-(2-ethoxyphenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095757
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367
2-N-butyl-6-N-(2,3,4-trifluorophenyl)pyridine-2,6-dicarboxamide
CID 109094379
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109319229

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide (CID 109094361) is 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is FWMXQJFBOHATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-3-16-24-22(27)19-13-9-14-20(25-19)23(28)26-18-12-7-8-15-21(18)29-17-10-5-4-6-11-17/h4-15H,2-3,16H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide?
2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).