6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide

C15H16N4O3 — CID 133385526

IUPAC6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCc2cccc3c2OCCCO3)n1
InChIInChI=1S/C15H16N4O3/c16-15(20)11-8-17-9-13(19-11)18-7-10-3-1-4-12-14(10)22-6-2-5-21-12/h1,3-4,8-9H,2,5-7H2,(H2,16,20)(H,18,19)
InChIKeyLLIIBHGEEZXTSA-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.35
Rot. Bonds4

About 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide

6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 133385526) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide
PubChem CID133385526
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCc2cccc3c2OCCCO3)n1
InChIInChI=1S/C15H16N4O3/c16-15(20)11-8-17-9-13(19-11)18-7-10-3-1-4-12-14(10)22-6-2-5-21-12/h1,3-4,8-9H,2,5-7H2,(H2,16,20)(H,18,19)
InChIKeyLLIIBHGEEZXTSA-UHFFFAOYSA-N
XLogP1.35
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 24687321
N-[2-(3,4-diethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 9110688
3-amino-N-cyclohexyl-6-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 129202584
3-amino-N-butan-2-yl-6-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 122185558
3-amino-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33656389
3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 37958714
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-6-(piperidin-1-ylcarbonyl)pyrazin-2-amine
CID 72895636
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-6-(pyrrolidin-1-ylcarbonyl)pyrazin-2-amine
CID 72912206
2-amino-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]-3H-pteridine-7-carboxamide
CID 136033929
2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-3H-pteridine-7-carboxamide
CID 136227761
3-[(2,4-Dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 145999893
3-[(4-Methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 145999975

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide (CID 133385526) is 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide is NC(=O)c1cncc(NCc2cccc3c2OCCCO3)n1.
What is the InChIKey of 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is LLIIBHGEEZXTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-15(20)11-8-17-9-13(19-11)18-7-10-3-1-4-12-14(10)22-6-2-5-21-12/h1,3-4,8-9H,2,5-7H2,(H2,16,20)(H,18,19).
What are the key properties of 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide?
6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 133385526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).