N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide

C22H21N3O3 — CID 140992504

IUPACN-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccn1)c1ccccc1NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H21N3O3/c1-16(26)25(14-18-6-4-5-11-23-18)20-8-3-2-7-19(20)24-13-17-9-10-21-22(12-17)28-15-27-21/h2-12,24H,13-15H2,1H3
InChIKeyZSYRSBJMIJXCDO-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide

N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 140992504) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID140992504
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccn1)c1ccccc1NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H21N3O3/c1-16(26)25(14-18-6-4-5-11-23-18)20-8-3-2-7-19(20)24-13-17-9-10-21-22(12-17)28-15-27-21/h2-12,24H,13-15H2,1H3
InChIKeyZSYRSBJMIJXCDO-UHFFFAOYSA-N
XLogP3.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113163231
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 6487075
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047453
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086966
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(N-methylanilino)anilino]acetamide
CID 55897786
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyridin-2-ylethyl)butanamide
CID 42724828
4-(1,3-benzodioxol-5-ylmethylamino)-N,5-dimethyl-N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26350020
3-(N-acetyl-2-ethoxyanilino)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113129251
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004
2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)phenyl]-N,N-dimethylacetamide
CID 71913478
3-(N-acetyl-2-propan-2-ylanilino)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113125690
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556572

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide (CID 140992504) is N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(Cc1ccccn1)c1ccccc1NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ZSYRSBJMIJXCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16(26)25(14-18-6-4-5-11-23-18)20-8-3-2-7-19(20)24-13-17-9-10-21-22(12-17)28-15-27-21/h2-12,24H,13-15H2,1H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide?
N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylmethylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 140992504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).