N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide

C21H25N3O3 — CID 109234587

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H25N3O3/c1-2-17-5-3-4-8-24(17)18-10-16(12-22-13-18)21(25)23-11-15-6-7-19-20(9-15)27-14-26-19/h6-7,9-10,12-13,17H,2-5,8,11,14H2,1H3,(H,23,25)
InChIKeyRAJZIBBOKBCMMD-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.51
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 109234587) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID109234587
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C21H25N3O3/c1-2-17-5-3-4-8-24(17)18-10-16(12-22-13-18)21(25)23-11-15-6-7-19-20(9-15)27-14-26-19/h6-7,9-10,12-13,17H,2-5,8,11,14H2,1H3,(H,23,25)
InChIKeyRAJZIBBOKBCMMD-UHFFFAOYSA-N
XLogP3.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109231683
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
5-(azepane-1-carbonyl)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109105830
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109225954
N-(1,3-benzodioxol-5-ylmethyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109234579
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104549
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240615
5-(1,3-benzodioxol-5-ylamino)-N-(1,3-benzodioxol-5-ylmethyl)pyridine-3-carboxamide
CID 109234631
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103588
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53010769
N-(1,3-benzodioxol-5-yl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264292
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240680

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide (CID 109234587) is N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide is CCC1CCCCN1c1cncc(C(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is RAJZIBBOKBCMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-17-5-3-4-8-24(17)18-10-16(12-22-13-18)21(25)23-11-15-6-7-19-20(9-15)27-14-26-19/h6-7,9-10,12-13,17H,2-5,8,11,14H2,1H3,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109234587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).