5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C22H28N4O — CID 109226590

IUPAC5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cncc(N2CCCCC2)c1
InChIInChI=1S/C22H28N4O/c27-22(18-15-21(17-23-16-18)26-13-5-2-6-14-26)24-19-7-9-20(10-8-19)25-11-3-1-4-12-25/h7-10,15-17H,1-6,11-14H2,(H,24,27)
InChIKeyCLWPXKAUYYRSTG-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.31
Rot. Bonds4

About 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 109226590) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID109226590
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cncc(N2CCCCC2)c1
InChIInChI=1S/C22H28N4O/c27-22(18-15-21(17-23-16-18)26-13-5-2-6-14-26)24-19-7-9-20(10-8-19)25-11-3-1-4-12-25/h7-10,15-17H,1-6,11-14H2,(H,24,27)
InChIKeyCLWPXKAUYYRSTG-UHFFFAOYSA-N
XLogP4.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
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

5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226574
5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109240663
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611
3-N-(2-methoxyethyl)-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103527
N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109237578
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 109226590) is 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cncc(N2CCCCC2)c1.
What is the InChIKey of 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is CLWPXKAUYYRSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(18-15-21(17-23-16-18)26-13-5-2-6-14-26)24-19-7-9-20(10-8-19)25-11-3-1-4-12-25/h7-10,15-17H,1-6,11-14H2,(H,24,27).
What are the key properties of 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109226590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).