5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide

C19H24N4O — CID 109280802

IUPAC5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(N2CCCCCC2)cn1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(16-9-5-4-6-10-16)22-19(24)17-13-21-18(14-20-17)23-11-7-2-3-8-12-23/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,22,24)
InChIKeyBHQMKEBUZIEJOM-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.35
Rot. Bonds4

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

5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide (PubChem CID 109280802) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
PubChem CID109280802
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(N2CCCCCC2)cn1)c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(16-9-5-4-6-10-16)22-19(24)17-13-21-18(14-20-17)23-11-7-2-3-8-12-23/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,22,24)
InChIKeyBHQMKEBUZIEJOM-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109279167
5-(2-ethylpiperidin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280798
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109289329
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266
N-(3-methylbutyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274517
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109289350
5-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271173
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178
N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188874

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide (CID 109280802) is 5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1cnc(N2CCCCCC2)cn1)c1ccccc1.
What is the InChIKey of 5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide?
The InChIKey is BHQMKEBUZIEJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15(16-9-5-4-6-10-16)22-19(24)17-13-21-18(14-20-17)23-11-7-2-3-8-12-23/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,22,24).
What are the key properties of 5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.35, 4 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-(1-phenylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109280802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).