N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide

C16H16N2O3 — CID 32773709

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H16N2O3/c1-11-4-3-5-13(17-11)16(19)18(2)9-12-6-7-14-15(8-12)21-10-20-14/h3-8H,9-10H2,1-2H3
InChIKeyBCTKOERTTDBHDV-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.39
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide (PubChem CID 32773709) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
PubChem CID32773709
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H16N2O3/c1-11-4-3-5-13(17-11)16(19)18(2)9-12-6-7-14-15(8-12)21-10-20-14/h3-8H,9-10H2,1-2H3
InChIKeyBCTKOERTTDBHDV-UHFFFAOYSA-N
XLogP2.39
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 35701637
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62786857
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143239
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
CID 110753656
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
N-(1,3-benzodioxol-5-ylmethyl)-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 35359994
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 39628059
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide (CID 32773709) is N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide is Cc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is BCTKOERTTDBHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-4-3-5-13(17-11)16(19)18(2)9-12-6-7-14-15(8-12)21-10-20-14/h3-8H,9-10H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 32773709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).