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

C21H26N4O — CID 109226589

IUPAC5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cncc(N2CCCCC2)c1
InChIInChI=1S/C21H26N4O/c26-21(17-14-20(16-22-15-17)25-10-2-1-3-11-25)23-18-6-8-19(9-7-18)24-12-4-5-13-24/h6-9,14-16H,1-5,10-13H2,(H,23,26)
InChIKeyLQVUWKCOZUPHTK-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.92
Rot. Bonds4

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

5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 109226589) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID109226589
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cncc(N2CCCCC2)c1
InChIInChI=1S/C21H26N4O/c26-21(17-14-20(16-22-15-17)25-10-2-1-3-11-25)23-18-6-8-19(9-7-18)24-12-4-5-13-24/h6-9,14-16H,1-5,10-13H2,(H,23,26)
InChIKeyLQVUWKCOZUPHTK-UHFFFAOYSA-N
XLogP3.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.92
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-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
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-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide (CID 109226589) is 5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cncc(N2CCCCC2)c1.
What is the InChIKey of 5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is LQVUWKCOZUPHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(17-14-20(16-22-15-17)25-10-2-1-3-11-25)23-18-6-8-19(9-7-18)24-12-4-5-13-24/h6-9,14-16H,1-5,10-13H2,(H,23,26).
What are the key properties of 5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide?
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.92, 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-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109226589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).