N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide

C15H14N2O3 — CID 2970366

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c1-10(17-15(18)12-3-2-6-16-8-12)11-4-5-13-14(7-11)20-9-19-13/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyOYFPBYXOXJJXNZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.30
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 2970366) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID2970366
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O3/c1-10(17-15(18)12-3-2-6-16-8-12)11-4-5-13-14(7-11)20-9-19-13/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyOYFPBYXOXJJXNZ-UHFFFAOYSA-N
XLogP2.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-pyrrolo[3,4-b]quinoline-2-carboxylic acid pyridin-4-ylmethyl ester
CID 9803328
(R)-3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-pyrrolo[3,4-b]quinoline-2-carboxylic acid pyridin-4-ylmethyl ester
CID 9954942
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-3-pyridinecarboxamide
CID 2161595
Nicotinic acid benzo[1,3]dioxol-5-ylmethylene-hydrazide
CID 6862671
N-(3-(4-(piperonyl)piperazin-1-yl)propyl) isonicotinamide
CID 127027739
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 127041966
[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2433163
N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide
CID 2471206
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[3-(3-Methoxy-benzoylamino)-propyl]-nicotinamide
CID 2989253
N-[1-(2-bromo-4,5-diethoxyphenyl)ethyl]nicotinamide
CID 4075813
N-[3-(3,4-Dimethoxy-benzoylamino)-propyl]-nicotinamide
CID 6456930

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide (CID 2970366) is N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is OYFPBYXOXJJXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(17-15(18)12-3-2-6-16-8-12)11-4-5-13-14(7-11)20-9-19-13/h2-8,10H,9H2,1H3,(H,17,18).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2970366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).