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

C15H14N2O4 — CID 17466734

IUPACN-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C15H14N2O4/c1-19-14-5-3-11(9-16-14)17-15(18)10-2-4-12-13(8-10)21-7-6-20-12/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyITKMWXSEODTPNZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.11
Rot. Bonds3

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

N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 17466734) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID17466734
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C15H14N2O4/c1-19-14-5-3-11(9-16-14)17-15(18)10-2-4-12-13(8-10)21-7-6-20-12/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyITKMWXSEODTPNZ-UHFFFAOYSA-N
XLogP2.11
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 166209984
N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17455965
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7934883
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
6-amino-N-(6-methoxy-3-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542771
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17455400
N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94206602
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
4-(1,3-dithiolan-2-yl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 40599544

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 17466734) is N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is ITKMWXSEODTPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-19-14-5-3-11(9-16-14)17-15(18)10-2-4-12-13(8-10)21-7-6-20-12/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 17466734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).