N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C15H14N2O3 — CID 24982977

IUPACN-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C15H14N2O3/c1-10-2-5-14(16-9-10)17-15(18)11-3-4-12-13(8-11)20-7-6-19-12/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeyMFOUKHPXKUEIGG-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.41
Rot. Bonds2

About N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 24982977) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID24982977
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)OCCO3)nc1
InChIInChI=1S/C15H14N2O3/c1-10-2-5-14(16-9-10)17-15(18)11-3-4-12-13(8-11)20-7-6-19-12/h2-5,8-9H,6-7H2,1H3,(H,16,17,18)
InChIKeyMFOUKHPXKUEIGG-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-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 24982977) is N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is MFOUKHPXKUEIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-2-5-14(16-9-10)17-15(18)11-3-4-12-13(8-11)20-7-6-19-12/h2-5,8-9H,6-7H2,1H3,(H,16,17,18).
What are the key properties of N-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(5-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-(5-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 24982977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).