3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide

C17H18N2O3 — CID 17455509

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H18N2O3/c1-12-3-2-4-16(18-12)19-17(20)8-6-13-5-7-14-15(11-13)22-10-9-21-14/h2-5,7,11H,6,8-10H2,1H3,(H,18,19,20)
InChIKeyNQUQCAXAHOZNDA-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.73
Rot. Bonds4

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 17455509) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID17455509
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H18N2O3/c1-12-3-2-4-16(18-12)19-17(20)8-6-13-5-7-14-15(11-13)22-10-9-21-14/h2-5,7,11H,6,8-10H2,1H3,(H,18,19,20)
InChIKeyNQUQCAXAHOZNDA-UHFFFAOYSA-N
XLogP2.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methylpyridin-2-amine
CID 60876054
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 9453893
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide
CID 24677174
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(6-methyl-2-pyridinyl)acetamide
CID 18107184
N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708615
N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 47076327
3-[[N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111562970
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 46480468
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 31946716

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide (CID 17455509) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is NQUQCAXAHOZNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-3-2-4-16(18-12)19-17(20)8-6-13-5-7-14-15(11-13)22-10-9-21-14/h2-5,7,11H,6,8-10H2,1H3,(H,18,19,20).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 298.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 17455509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).