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

C18H29N3O — CID 109239784

IUPAC5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C18H29N3O/c1-4-16-7-5-6-10-21(16)17-11-15(12-19-13-17)18(22)20-9-8-14(2)3/h11-14,16H,4-10H2,1-3H3,(H,20,22)
InChIKeyDKVJHLBDZSPXGU-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.63
Rot. Bonds6

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

5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 109239784) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID109239784
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C18H29N3O/c1-4-16-7-5-6-10-21(16)17-11-15(12-19-13-17)18(22)20-9-8-14(2)3/h11-14,16H,4-10H2,1-3H3,(H,20,22)
InChIKeyDKVJHLBDZSPXGU-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109225954
N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109231683
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240615
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287769
5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109240663
N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109234587
N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240661
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109240600
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240680
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107017
N-(3-methylbutyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228614
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide (CID 109239784) is 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide is CCC1CCCCN1c1cncc(C(=O)NCCC(C)C)c1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is DKVJHLBDZSPXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-16-7-5-6-10-21(16)17-11-15(12-19-13-17)18(22)20-9-8-14(2)3/h11-14,16H,4-10H2,1-3H3,(H,20,22).
What are the key properties of 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide?
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).