5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C24H32N4O — CID 109240663

IUPAC5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C24H32N4O/c1-2-21-8-4-7-15-28(21)23-16-19(17-25-18-23)24(29)26-20-9-11-22(12-10-20)27-13-5-3-6-14-27/h9-12,16-18,21H,2-8,13-15H2,1H3,(H,26,29)
InChIKeyOQZROWUFRNQIBC-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.09
Rot. Bonds5

About 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 109240663) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID109240663
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C24H32N4O/c1-2-21-8-4-7-15-28(21)23-16-19(17-25-18-23)24(29)26-20-9-11-22(12-10-20)27-13-5-3-6-14-27/h9-12,16-18,21H,2-8,13-15H2,1H3,(H,26,29)
InChIKeyOQZROWUFRNQIBC-UHFFFAOYSA-N
XLogP5.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.09
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

N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240661
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240615
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109225954
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240680
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240657
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109231683
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237515
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109239784

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 109240663) is 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is CCC1CCCCN1c1cncc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is OQZROWUFRNQIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-2-21-8-4-7-15-28(21)23-16-19(17-25-18-23)24(29)26-20-9-11-22(12-10-20)27-13-5-3-6-14-27/h9-12,16-18,21H,2-8,13-15H2,1H3,(H,26,29).
What are the key properties of 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109240663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).