N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide

C17H18N2O3 — CID 35701637

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H18N2O3/c1-12-4-3-5-14(18-12)17(20)19(2)11-13-6-7-15-16(10-13)22-9-8-21-15/h3-7,10H,8-9,11H2,1-2H3
InChIKeyMXEZAGPLEFUQGO-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.43
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide (PubChem CID 35701637) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
PubChem CID35701637
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H18N2O3/c1-12-4-3-5-14(18-12)17(20)19(2)11-13-6-7-15-16(10-13)22-9-8-21-15/h3-7,10H,8-9,11H2,1-2H3
InChIKeyMXEZAGPLEFUQGO-UHFFFAOYSA-N
XLogP2.43
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 32773709
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 55484093
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31363980
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylfuran-3-carboxamide
CID 34764238
3-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 18082586
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26071977
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 78811641
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 34764151
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 17455509
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylpropanamide
CID 115649422
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 62232596

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide (CID 35701637) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide is Cc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is MXEZAGPLEFUQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-4-3-5-14(18-12)17(20)19(2)11-13-6-7-15-16(10-13)22-9-8-21-15/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 35701637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).