2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide

C15H14N2O3 — CID 110851878

IUPAC2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc2c1OCO2)NCc1ccccn1
InChIInChI=1S/C15H14N2O3/c18-14(17-9-12-5-1-2-7-16-12)8-11-4-3-6-13-15(11)20-10-19-13/h1-7H,8-10H2,(H,17,18)
InChIKeyBMZWJJVZGYHPBV-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.67
Rot. Bonds4

About 2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 110851878) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID110851878
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc2c1OCO2)NCc1ccccn1
InChIInChI=1S/C15H14N2O3/c18-14(17-9-12-5-1-2-7-16-12)8-11-4-3-6-13-15(11)20-10-19-13/h1-7H,8-10H2,(H,17,18)
InChIKeyBMZWJJVZGYHPBV-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

2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 110851438
6-amino-N-(pyridin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103542782
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
N-(1,3-benzodioxol-4-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 42794220
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113163231
N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
CID 79209486
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide
CID 61293674
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 110851878) is 2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1cccc2c1OCO2)NCc1ccccn1.
What is the InChIKey of 2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BMZWJJVZGYHPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(17-9-12-5-1-2-7-16-12)8-11-4-3-6-13-15(11)20-10-19-13/h1-7H,8-10H2,(H,17,18).
What are the key properties of 2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-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-4-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 110851878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).