5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide

C19H24N4O — CID 109289326

IUPAC5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCCCCC2)cn1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-2-23(16-10-6-5-7-11-16)19(24)17-14-21-18(15-20-17)22-12-8-3-4-9-13-22/h5-7,10-11,14-15H,2-4,8-9,12-13H2,1H3
InChIKeyZBISSCHXQLBECR-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.52
Rot. Bonds4

About 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide

5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide (PubChem CID 109289326) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide
PubChem CID109289326
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnc(N2CCCCCC2)cn1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-2-23(16-10-6-5-7-11-16)19(24)17-14-21-18(15-20-17)22-12-8-3-4-9-13-22/h5-7,10-11,14-15H,2-4,8-9,12-13H2,1H3
InChIKeyZBISSCHXQLBECR-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
2-(azepan-1-yl)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264971
N-ethyl-N-(3-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288895
N-ethyl-N-(3-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182897
5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109195372
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280802
N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
CID 109128101
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide (CID 109289326) is 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide is CCN(C(=O)c1cnc(N2CCCCCC2)cn1)c1ccccc1.
What is the InChIKey of 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide?
The InChIKey is ZBISSCHXQLBECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-23(16-10-6-5-7-11-16)19(24)17-14-21-18(15-20-17)22-12-8-3-4-9-13-22/h5-7,10-11,14-15H,2-4,8-9,12-13H2,1H3.
What are the key properties of 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide?
5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109289326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).