4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide

C16H24N4O2 — CID 86286116

IUPAC4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide
SMILESCN(Cc1cnccn1)C(=O)CCC(=O)N1CCCCCC1
InChIInChI=1S/C16H24N4O2/c1-19(13-14-12-17-8-9-18-14)15(21)6-7-16(22)20-10-4-2-3-5-11-20/h8-9,12H,2-7,10-11,13H2,1H3
InChIKeyDIXDTSULPLXHCJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.62
Rot. Bonds5

About 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide

4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide (PubChem CID 86286116) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide
PubChem CID86286116
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide
SMILESCN(Cc1cnccn1)C(=O)CCC(=O)N1CCCCCC1
InChIInChI=1S/C16H24N4O2/c1-19(13-14-12-17-8-9-18-14)15(21)6-7-16(22)20-10-4-2-3-5-11-20/h8-9,12H,2-7,10-11,13H2,1H3
InChIKeyDIXDTSULPLXHCJ-UHFFFAOYSA-N
XLogP1.62
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982556
(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 26328640
1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110664962
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]ethanone
CID 75377018
N-methyl-3-piperidin-4-yl-N-(pyrazin-2-ylmethyl)butanamide;dihydrochloride
CID 119867890
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
3-ethoxy-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 137340312
N-methyl-4-(4-methylpiperazin-1-yl)-N-(pyrazin-2-ylmethyl)benzamide
CID 77082553
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 125156790
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 86283847
N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide
CID 50983286

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide?
The IUPAC name of 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide (CID 86286116) is 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide?
The canonical SMILES for 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide is CN(Cc1cnccn1)C(=O)CCC(=O)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide?
The InChIKey is DIXDTSULPLXHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19(13-14-12-17-8-9-18-14)15(21)6-7-16(22)20-10-4-2-3-5-11-20/h8-9,12H,2-7,10-11,13H2,1H3.
What are the key properties of 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide?
4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide has a molecular weight of 304.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide is sourced from PubChem (CID 86286116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).