5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide

C19H24N4O3 — CID 109289360

IUPAC5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCCCC3)cn2)cc1OC
InChIInChI=1S/C19H24N4O3/c1-25-16-8-7-14(11-17(16)26-2)22-19(24)15-12-21-18(13-20-15)23-9-5-3-4-6-10-23/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,22,24)
InChIKeyGLHHZAXWOHESOC-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.13
Rot. Bonds5

About 5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide

5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 109289360) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
PubChem CID109289360
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCCCCC3)cn2)cc1OC
InChIInChI=1S/C19H24N4O3/c1-25-16-8-7-14(11-17(16)26-2)22-19(24)15-12-21-18(13-20-15)23-9-5-3-4-6-10-23/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,22,24)
InChIKeyGLHHZAXWOHESOC-UHFFFAOYSA-N
XLogP3.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109289350
methyl 3-[(5-piperidin-1-ylpyrazine-2-carbonyl)amino]benzoate
CID 109274586
N-(3-chloro-4-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275297
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109265005
N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814
N-(3,4-dimethoxyphenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145624
5-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109289373
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289329
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
5-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
CID 109276725

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide (CID 109289360) is 5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCCCCC3)cn2)cc1OC.
What is the InChIKey of 5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is GLHHZAXWOHESOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-25-16-8-7-14(11-17(16)26-2)22-19(24)15-12-21-18(13-20-15)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-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109289360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).