N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide

C21H20N4O3 — CID 109280201

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccccc1CNc1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C21H20N4O3/c1-14-4-2-3-5-15(14)11-23-20-13-22-17(12-24-20)21(26)25-16-6-7-18-19(10-16)28-9-8-27-18/h2-7,10,12-13H,8-9,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyOZXJDHVSSAWGIP-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.42
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109280201) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109280201
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
SMILESCc1ccccc1CNc1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1
InChIInChI=1S/C21H20N4O3/c1-14-4-2-3-5-15(14)11-23-20-13-22-17(12-24-20)21(26)25-16-6-7-18-19(10-16)28-9-8-27-18/h2-7,10,12-13H,8-9,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyOZXJDHVSSAWGIP-UHFFFAOYSA-N
XLogP3.42
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255782
N-(3-bromophenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280199
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276356
N-(1,3-benzodioxol-5-yl)-5-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 109277429
N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280144
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291991
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109294263
N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
CID 109294080
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210020
N-(1,3-benzodioxol-5-yl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277712
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
N-[6-(1,3-benzodioxol-5-ylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113021601

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide (CID 109280201) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide is Cc1ccccc1CNc1cnc(C(=O)Nc2ccc3c(c2)OCCO3)cn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is OZXJDHVSSAWGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14-4-2-3-5-15(14)11-23-20-13-22-17(12-24-20)21(26)25-16-6-7-18-19(10-16)28-9-8-27-18/h2-7,10,12-13H,8-9,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109280201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).