5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide

C19H25N5O — CID 109289373

IUPAC5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C19H25N5O/c1-23(2)16-9-7-15(8-10-16)22-19(25)17-13-21-18(14-20-17)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)
InChIKeyCMGOZPVBYVEUFR-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.18
Rot. Bonds4

About 5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide

5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide (PubChem CID 109289373) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
PubChem CID109289373
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc(N3CCCCCC3)cn2)cc1
InChIInChI=1S/C19H25N5O/c1-23(2)16-9-7-15(8-10-16)22-19(25)17-13-21-18(14-20-17)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25)
InChIKeyCMGOZPVBYVEUFR-UHFFFAOYSA-N
XLogP3.18
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289329
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
5-(4-acetylpiperazin-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109279241
2-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109334404
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
5-(4-acetylpiperazin-1-yl)-N-(4-tert-butylphenyl)pyrazine-2-carboxamide
CID 109279236

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide (CID 109289373) is 5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide is CN(C)c1ccc(NC(=O)c2cnc(N3CCCCCC3)cn2)cc1.
What is the InChIKey of 5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
The InChIKey is CMGOZPVBYVEUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23(2)16-9-7-15(8-10-16)22-19(25)17-13-21-18(14-20-17)24-11-5-3-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,25).
What are the key properties of 5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.18, 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-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109289373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).