N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide

C17H18N2O4 — CID 53184935

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCCOc1ncccc1CN(C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O4/c1-3-21-16-13(5-4-8-18-16)10-19(2)17(20)12-6-7-14-15(9-12)23-11-22-14/h4-9H,3,10-11H2,1-2H3
InChIKeyDRIZWUHLXSONCS-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.48
Rot. Bonds5

About N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 53184935) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID53184935
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCCOc1ncccc1CN(C)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H18N2O4/c1-3-21-16-13(5-4-8-18-16)10-19(2)17(20)12-6-7-14-15(9-12)23-11-22-14/h4-9H,3,10-11H2,1-2H3
InChIKeyDRIZWUHLXSONCS-UHFFFAOYSA-N
XLogP2.48
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 17447267
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
N-(chloromethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 10331338
2-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179699
N-(2-hydroxyethyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 39245580
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 55579436
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 51100025
3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184952
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
N-methyl-N-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51113425
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 53184960
1,3-benzodioxol-5-yl-(4-ethoxyphenyl)methanone
CID 43338385

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide (CID 53184935) is N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide is CCOc1ncccc1CN(C)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is DRIZWUHLXSONCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-21-16-13(5-4-8-18-16)10-19(2)17(20)12-6-7-14-15(9-12)23-11-22-14/h4-9H,3,10-11H2,1-2H3.
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 53184935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).