2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide

C15H14N2O3 — CID 47350006

IUPAC2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NCc1cccnc1
InChIInChI=1S/C15H14N2O3/c18-15(17-9-12-2-1-5-16-8-12)7-11-3-4-13-14(6-11)20-10-19-13/h1-6,8H,7,9-10H2,(H,17,18)
InChIKeyHUZCTMVMLZBDKY-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.67
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 47350006) 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-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID47350006
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NCc1cccnc1
InChIInChI=1S/C15H14N2O3/c18-15(17-9-12-2-1-5-16-8-12)7-11-3-4-13-14(6-11)20-10-19-13/h1-6,8H,7,9-10H2,(H,17,18)
InChIKeyHUZCTMVMLZBDKY-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571
1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 113198842
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 46057164
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 110770413
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
(Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(pyridin-3-ylmethylamino)prop-2-enamide
CID 108841409
N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 16820219
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999581
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 75443227

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 47350006) is 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ccc2c(c1)OCO2)NCc1cccnc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HUZCTMVMLZBDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(17-9-12-2-1-5-16-8-12)7-11-3-4-13-14(6-11)20-10-19-13/h1-6,8H,7,9-10H2,(H,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 47350006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).