5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide

C18H22N4O2 — CID 109289350

IUPAC5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C18H22N4O2/c1-24-16-9-5-4-8-14(16)21-18(23)15-12-20-17(13-19-15)22-10-6-2-3-7-11-22/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,23)
InChIKeyDATCWLKTAKIMJZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.12
Rot. Bonds4

About 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide

5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109289350) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID109289350
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C18H22N4O2/c1-24-16-9-5-4-8-14(16)21-18(23)15-12-20-17(13-19-15)22-10-6-2-3-7-11-22/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,23)
InChIKeyDATCWLKTAKIMJZ-UHFFFAOYSA-N
XLogP3.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109288627
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
5-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109278397
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109278980
N-(2-methoxyphenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109293406
5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278979
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276688

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide (CID 109289350) is 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide is COc1ccccc1NC(=O)c1cnc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is DATCWLKTAKIMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-16-9-5-4-8-14(16)21-18(23)15-12-20-17(13-19-15)22-10-6-2-3-7-11-22/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).