N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide

C15H14N2O3 — CID 861830

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1cccnc1
InChIInChI=1S/C15H14N2O3/c18-15(12-2-1-6-16-9-12)17-7-5-11-3-4-13-14(8-11)20-10-19-13/h1-4,6,8-9H,5,7,10H2,(H,17,18)
InChIKeyBEFNHIBSRXOGMP-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.78
Rot. Bonds4

About N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 861830) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID861830
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)c1cccnc1
InChIInChI=1S/C15H14N2O3/c18-15(12-2-1-6-16-9-12)17-7-5-11-3-4-13-14(8-11)20-10-19-13/h1-4,6,8-9H,5,7,10H2,(H,17,18)
InChIKeyBEFNHIBSRXOGMP-UHFFFAOYSA-N
XLogP1.78
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110787889
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 24661271
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
CID 110789922
N-[2-(1,3-benzodioxol-5-yl)ethyl]naphthalene-2-carboxamide
CID 18117805
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
CID 112982804
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 84505135
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzoylbenzamide
CID 17491004
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide (CID 861830) is N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc2c(c1)OCO2)c1cccnc1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is BEFNHIBSRXOGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(12-2-1-6-16-9-12)17-7-5-11-3-4-13-14(8-11)20-10-19-13/h1-4,6,8-9H,5,7,10H2,(H,17,18).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 861830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).