2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide

C15H14N2O3 — CID 39814819

IUPAC2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c1-17(2)15(18)11-4-3-7-16-14(11)10-5-6-12-13(8-10)20-9-19-12/h3-8H,9H2,1-2H3
InChIKeyBRZXYXRAUHSXLK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.18
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide

2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 39814819) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide
PubChem CID39814819
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c1-17(2)15(18)11-4-3-7-16-14(11)10-5-6-12-13(8-10)20-9-19-12/h3-8H,9H2,1-2H3
InChIKeyBRZXYXRAUHSXLK-UHFFFAOYSA-N
XLogP2.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide (CID 39814819) is 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1-c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is BRZXYXRAUHSXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-17(2)15(18)11-4-3-7-16-14(11)10-5-6-12-13(8-10)20-9-19-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide?
2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 39814819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).