5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide

C19H24N4O — CID 109289319

IUPAC5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnc(N3CCCCCC3)cn2)c1
InChIInChI=1S/C19H24N4O/c1-14-7-8-15(2)16(11-14)22-19(24)17-12-21-18(13-20-17)23-9-5-3-4-6-10-23/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,22,24)
InChIKeyMKIBAILJCMEHCJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.73
Rot. Bonds3

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

5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109289319) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109289319
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnc(N3CCCCCC3)cn2)c1
InChIInChI=1S/C19H24N4O/c1-14-7-8-15(2)16(11-14)22-19(24)17-12-21-18(13-20-17)23-9-5-3-4-6-10-23/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,22,24)
InChIKeyMKIBAILJCMEHCJ-UHFFFAOYSA-N
XLogP3.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343
N-(2,4-dimethylphenyl)-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278943
N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288825
5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109289350
5-(4-ethylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278676
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278979
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814
N-(2,5-dimethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282282

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide (CID 109289319) is 5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide is Cc1ccc(C)c(NC(=O)c2cnc(N3CCCCCC3)cn2)c1.
What is the InChIKey of 5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is MKIBAILJCMEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-7-8-15(2)16(11-14)22-19(24)17-12-21-18(13-20-17)23-9-5-3-4-6-10-23/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,22,24).
What are the key properties of 5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.73, 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-(2,5-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).