N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

C14H23N5O — CID 109272354

IUPACN-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C14H23N5O/c1-3-4-5-15-14(20)12-10-17-13(11-16-12)19-8-6-18(2)7-9-19/h10-11H,3-9H2,1-2H3,(H,15,20)
InChIKeyQJEQMKVPYMHARZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.76
Rot. Bonds5

About N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109272354) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109272354
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(N2CCN(C)CC2)cn1
InChIInChI=1S/C14H23N5O/c1-3-4-5-15-14(20)12-10-17-13(11-16-12)19-8-6-18(2)7-9-19/h10-11H,3-9H2,1-2H3,(H,15,20)
InChIKeyQJEQMKVPYMHARZ-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
5-[4-(4-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109288007
5-(4-benzylpiperidin-1-yl)-N-butylpyrazine-2-carboxamide
CID 109272418
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109286431
5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276095
N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278299
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 11213066
N-[3-(dimethylamino)propyl]-5-(4-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109275192
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109320621

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109272354) is N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is CCCCNC(=O)c1cnc(N2CCN(C)CC2)cn1.
What is the InChIKey of N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is QJEQMKVPYMHARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-4-5-15-14(20)12-10-17-13(11-16-12)19-8-6-18(2)7-9-19/h10-11H,3-9H2,1-2H3,(H,15,20).
What are the key properties of N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).