N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide

C17H20N4O4 — CID 109276356

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C17H20N4O4/c1-23-6-2-5-18-16-11-19-13(10-20-16)17(22)21-12-3-4-14-15(9-12)25-8-7-24-14/h3-4,9-11H,2,5-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyIMNKNXVBPYALQB-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.95
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (PubChem CID 109276356) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
PubChem CID109276356
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
SMILESCOCCCNc1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C17H20N4O4/c1-23-6-2-5-18-16-11-19-13(10-20-16)17(22)21-12-3-4-14-15(9-12)25-8-7-24-14/h3-4,9-11H,2,5-8H2,1H3,(H,18,20)(H,21,22)
InChIKeyIMNKNXVBPYALQB-UHFFFAOYSA-N
XLogP1.95
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
N-(3,4-dimethoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276326
N-(3-chloro-4-methoxyphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276313
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 109277429
N-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280201
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109276347
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109294263
N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277712
6-(butylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109339973
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082770

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide (CID 109276356) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is COCCCNc1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
The InChIKey is IMNKNXVBPYALQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-6-2-5-18-16-11-19-13(10-20-16)17(22)21-12-3-4-14-15(9-12)25-8-7-24-14/h3-4,9-11H,2,5-8H2,1H3,(H,18,20)(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109276356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).