5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide

C19H24N4O — CID 109281067

IUPAC5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-22(15-16-9-5-4-6-10-16)19(24)17-13-21-18(14-20-17)23-11-7-2-3-8-12-23/h4-6,9-10,13-14H,2-3,7-8,11-12,15H2,1H3
InChIKeyQRIVPWTUHWWCAW-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.13
Rot. Bonds4

About 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide

5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide (PubChem CID 109281067) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
PubChem CID109281067
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-22(15-16-9-5-4-6-10-16)19(24)17-13-21-18(14-20-17)23-11-7-2-3-8-12-23/h4-6,9-10,13-14H,2-3,7-8,11-12,15H2,1H3
InChIKeyQRIVPWTUHWWCAW-UHFFFAOYSA-N
XLogP3.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778492
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119
5-(azepan-1-yl)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109289326
N,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazine-2-carboxamide
CID 24551928
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
2-(azepan-1-yl)-N-benzyl-N-methylpyrimidine-4-carboxamide
CID 109305153
5-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053623
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
CID 109187351
N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
CID 109186763
N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
CID 109189130
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide (CID 109281067) is 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide?
The InChIKey is QRIVPWTUHWWCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22(15-16-9-5-4-6-10-16)19(24)17-13-21-18(14-20-17)23-11-7-2-3-8-12-23/h4-6,9-10,13-14H,2-3,7-8,11-12,15H2,1H3.
What are the key properties of 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide?
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109281067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).