[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C17H27N5O — CID 109278127

IUPAC[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(NC3CCCCCC3)cn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-8-10-22(11-9-21)17(23)15-12-19-16(13-18-15)20-14-6-4-2-3-5-7-14/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyAGKVNYPWQBQYCC-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.00
Rot. Bonds3

About [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109278127) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109278127
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cnc(NC3CCCCCC3)cn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-8-10-22(11-9-21)17(23)15-12-19-16(13-18-15)20-14-6-4-2-3-5-7-14/h12-14H,2-11H2,1H3,(H,19,20)
InChIKeyAGKVNYPWQBQYCC-UHFFFAOYSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(cyclopentylamino)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109274083
(4-methylpiperazin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276926
[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875
(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272935
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
azocan-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374083
(4-methylpiperazin-1-yl)-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272158
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
[2-(cyclopentylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109297855
5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272801
[5-[(1,1-dioxothiolan-3-yl)amino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109285251

Frequently Asked Questions

What is the IUPAC name of [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 109278127) is [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cnc(NC3CCCCCC3)cn2)CC1.
What is the InChIKey of [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is AGKVNYPWQBQYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21-8-10-22(11-9-21)17(23)15-12-19-16(13-18-15)20-14-6-4-2-3-5-7-14/h12-14H,2-11H2,1H3,(H,19,20).
What are the key properties of [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 317.44 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109278127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).