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

C15H15N3O3 — CID 61360184

IUPACN-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCN(C(=O)C1COc2ccccc2O1)c1ccncc1N
InChIInChI=1S/C15H15N3O3/c1-18(11-6-7-17-8-10(11)16)15(19)14-9-20-12-4-2-3-5-13(12)21-14/h2-8,14H,9,16H2,1H3
InChIKeyASECLWCONZVPQG-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.47
Rot. Bonds2

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

N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 61360184) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID61360184
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCN(C(=O)C1COc2ccccc2O1)c1ccncc1N
InChIInChI=1S/C15H15N3O3/c1-18(11-6-7-17-8-10(11)16)15(19)14-9-20-12-4-2-3-5-13(12)21-14/h2-8,14H,9,16H2,1H3
InChIKeyASECLWCONZVPQG-UHFFFAOYSA-N
XLogP1.47
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17015071
N-(3-aminophenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 61295625
N-(3-amino-4-pyridinyl)-N-methylcycloheptanecarboxamide
CID 62585945
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134057912
N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79213070
2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone
CID 65351120
(3S)-N,N-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 95989083
N-benzhydryl-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4212192
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 76929190
(3S)-N-(3,4-dimethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94798691
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 61360184) is N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CN(C(=O)C1COc2ccccc2O1)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is ASECLWCONZVPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(11-6-7-17-8-10(11)16)15(19)14-9-20-12-4-2-3-5-13(12)21-14/h2-8,14H,9,16H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 61360184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).