6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide

C23H28N4O2 — CID 109095385

IUPAC6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C23H28N4O2/c28-22(24-17-7-2-1-3-8-17)20-9-6-10-21(26-20)23(29)25-18-11-13-19(14-12-18)27-15-4-5-16-27/h6,9-14,17H,1-5,7-8,15-16H2,(H,24,28)(H,25,29)
InChIKeySPJHKAMSNRUIMT-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.00
Rot. Bonds5

About 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide

6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109095385) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109095385
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C23H28N4O2/c28-22(24-17-7-2-1-3-8-17)20-9-6-10-21(26-20)23(29)25-18-11-13-19(14-12-18)27-15-4-5-16-27/h6,9-14,17H,1-5,7-8,15-16H2,(H,24,28)(H,25,29)
InChIKeySPJHKAMSNRUIMT-UHFFFAOYSA-N
XLogP4.00
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-N-cyclopentyl-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095033
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847
2-N-(4-acetylphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095061
N-cyclohexyl-2-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109298915
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
methyl 4-[[6-(cyclohexylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109095382
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094934
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide (CID 109095385) is 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is SPJHKAMSNRUIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(24-17-7-2-1-3-8-17)20-9-6-10-21(26-20)23(29)25-18-11-13-19(14-12-18)27-15-4-5-16-27/h6,9-14,17H,1-5,7-8,15-16H2,(H,24,28)(H,25,29).
What are the key properties of 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide?
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109095385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).