N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H14N2O3 — CID 17394922

IUPACN-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O3/c1-10-3-2-6-16-14(10)17-15(18)11-4-5-12-13(9-11)20-8-7-19-12/h2-6,9H,7-8H2,1H3,(H,16,17,18)
InChIKeyRAQBNQHDZISOKB-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.41
Rot. Bonds2

About N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 17394922) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID17394922
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cccnc1NC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O3/c1-10-3-2-6-16-14(10)17-15(18)11-4-5-12-13(9-11)20-8-7-19-12/h2-6,9H,7-8H2,1H3,(H,16,17,18)
InChIKeyRAQBNQHDZISOKB-UHFFFAOYSA-N
XLogP2.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 17394922) is N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cccnc1NC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is RAQBNQHDZISOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-3-2-6-16-14(10)17-15(18)11-4-5-12-13(9-11)20-8-7-19-12/h2-6,9H,7-8H2,1H3,(H,16,17,18).
What are the key properties of N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 17394922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).