N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide

C20H25N3O — CID 109231683

IUPACN-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H25N3O/c1-2-18-10-6-7-11-23(18)19-12-17(14-21-15-19)20(24)22-13-16-8-4-3-5-9-16/h3-5,8-9,12,14-15,18H,2,6-7,10-11,13H2,1H3,(H,22,24)
InChIKeyASTABNYFJIIRBU-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.78
Rot. Bonds5

About N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide

N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 109231683) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID109231683
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H25N3O/c1-2-18-10-6-7-11-23(18)19-12-17(14-21-15-19)20(24)22-13-16-8-4-3-5-9-16/h3-5,8-9,12,14-15,18H,2,6-7,10-11,13H2,1H3,(H,22,24)
InChIKeyASTABNYFJIIRBU-UHFFFAOYSA-N
XLogP3.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109234587
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109225954
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109239784
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240615
methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240657
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237515
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240680
5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109240663
N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240661
5-(2-ethylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191491
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide (CID 109231683) is N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide is CCC1CCCCN1c1cncc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ASTABNYFJIIRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-18-10-6-7-11-23(18)19-12-17(14-21-15-19)20(24)22-13-16-8-4-3-5-9-16/h3-5,8-9,12,14-15,18H,2,6-7,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109231683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).