N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide

C17H18N2O3 — CID 50953000

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc3c(c2)OCCO3)c(C)n1
InChIInChI=1S/C17H18N2O3/c1-3-17(20)19-16-7-5-13(11(2)18-16)12-4-6-14-15(10-12)22-9-8-21-14/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyZOEQKBSYVNVXPS-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.18
Rot. Bonds3

About N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide (PubChem CID 50953000) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide
PubChem CID50953000
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc3c(c2)OCCO3)c(C)n1
InChIInChI=1S/C17H18N2O3/c1-3-17(20)19-16-7-5-13(11(2)18-16)12-4-6-14-15(10-12)22-9-8-21-14/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyZOEQKBSYVNVXPS-UHFFFAOYSA-N
XLogP3.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide (CID 50953000) is N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(-c2ccc3c(c2)OCCO3)c(C)n1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide?
The InChIKey is ZOEQKBSYVNVXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-17(20)19-16-7-5-13(11(2)18-16)12-4-6-14-15(10-12)22-9-8-21-14/h4-7,10H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide has a molecular weight of 298.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-pyridinyl]propanamide is sourced from PubChem (CID 50953000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).