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

C17H18N2O3 — CID 2965126

IUPAC3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCC2COc3ccccc3O2)c1
InChIInChI=1S/C17H18N2O3/c1-12-8-9-18-16(10-12)19-17(20)7-6-13-11-21-14-4-2-3-5-15(14)22-13/h2-5,8-10,13H,6-7,11H2,1H3,(H,18,19,20)
InChIKeyKBZCPAZVSMEJRI-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.95
Rot. Bonds4

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

3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 2965126) 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-3-yl)-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID2965126
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCC2COc3ccccc3O2)c1
InChIInChI=1S/C17H18N2O3/c1-12-8-9-18-16(10-12)19-17(20)7-6-13-11-21-14-4-2-3-5-15(14)22-13/h2-5,8-10,13H,6-7,11H2,1H3,(H,18,19,20)
InChIKeyKBZCPAZVSMEJRI-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide (CID 2965126) is 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCC2COc3ccccc3O2)c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is KBZCPAZVSMEJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-8-9-18-16(10-12)19-17(20)7-6-13-11-21-14-4-2-3-5-15(14)22-13/h2-5,8-10,13H,6-7,11H2,1H3,(H,18,19,20).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide?
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 298.34 g/mol, XLogP of 2.95, 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-3-yl)-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 2965126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).