1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide

C14H22N4O — CID 72838302

IUPAC1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
SMILESCN1CCCCCC1C(=O)NCCc1cnccn1
InChIInChI=1S/C14H22N4O/c1-18-10-4-2-3-5-13(18)14(19)17-7-6-12-11-15-8-9-16-12/h8-9,11,13H,2-7,10H2,1H3,(H,17,19)
InChIKeyDBERROPOMWRLDO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.01
Rot. Bonds4

About 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide

1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide (PubChem CID 72838302) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
PubChem CID72838302
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide
SMILESCN1CCCCCC1C(=O)NCCc1cnccn1
InChIInChI=1S/C14H22N4O/c1-18-10-4-2-3-5-13(18)14(19)17-7-6-12-11-15-8-9-16-12/h8-9,11,13H,2-7,10H2,1H3,(H,17,19)
InChIKeyDBERROPOMWRLDO-UHFFFAOYSA-N
XLogP1.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342
(2R)-1-methyl-N-(2-pyridin-2-ylsulfanylethyl)azepane-2-carboxamide
CID 97189055
(2S)-1-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]azepane-2-carboxamide
CID 97138987
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 72864530
(2S)-1-methyl-N-[3-(1,2,4-triazol-4-yl)propyl]azepane-2-carboxamide
CID 97209651
1-methyl-N-[4-(2-pyrazin-2-ylethylcarbamoyl)cyclohexyl]pyrrole-2-carboxamide
CID 169414482
3-[2-[[(2R)-1-methylazepane-2-carbonyl]amino]ethoxy]benzoic acid
CID 124755901
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 138539048
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 110837340
(2R)-2-(4-fluorophenyl)-2-piperidin-1-yl-N-(2-pyrazin-2-ylethyl)acetamide
CID 125166147
1-methyl-N-(3-phenylsulfanylpropyl)azepane-2-carboxamide
CID 72913227
formic acid;4-[[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]amino]-N-(2-pyrazin-2-ylethyl)cyclohexane-1-carboxamide
CID 171339105

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide (CID 72838302) is 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide is CN1CCCCCC1C(=O)NCCc1cnccn1.
What is the InChIKey of 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide?
The InChIKey is DBERROPOMWRLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18-10-4-2-3-5-13(18)14(19)17-7-6-12-11-15-8-9-16-12/h8-9,11,13H,2-7,10H2,1H3,(H,17,19).
What are the key properties of 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide?
1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-pyrazin-2-ylethyl)azepane-2-carboxamide is sourced from PubChem (CID 72838302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).