5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide

C17H19ClN4O — CID 109289339

IUPAC5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C17H19ClN4O/c18-13-5-7-14(8-6-13)21-17(23)15-11-20-16(12-19-15)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2,(H,21,23)
InChIKeyMRIWCESRWCLJHD-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.76
Rot. Bonds3

About 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide

5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide (PubChem CID 109289339) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
PubChem CID109289339
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C17H19ClN4O/c18-13-5-7-14(8-6-13)21-17(23)15-11-20-16(12-19-15)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2,(H,21,23)
InChIKeyMRIWCESRWCLJHD-UHFFFAOYSA-N
XLogP3.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289329
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109289373
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285779
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide (CID 109289339) is 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
The InChIKey is MRIWCESRWCLJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-13-5-7-14(8-6-13)21-17(23)15-11-20-16(12-19-15)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2,(H,21,23).
What are the key properties of 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).