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

C14H23N5O — CID 109278299

IUPACN-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCN1CCN(c2cnc(C(=O)NC(C)(C)C)cn2)CC1
InChIInChI=1S/C14H23N5O/c1-14(2,3)17-13(20)11-9-16-12(10-15-11)19-7-5-18(4)6-8-19/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyRGANHAPNCPJYHE-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.76
Rot. Bonds2

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

N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 109278299) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID109278299
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCN1CCN(c2cnc(C(=O)NC(C)(C)C)cn2)CC1
InChIInChI=1S/C14H23N5O/c1-14(2,3)17-13(20)11-9-16-12(10-15-11)19-7-5-18(4)6-8-19/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyRGANHAPNCPJYHE-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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

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Related Compounds

N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109286468
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
N-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109272354
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278323
N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278398
N-(4-ethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278327
N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278402
N-(3-acetylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278366
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
5-(4-methylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109278397
N-tert-butyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109287320

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (CID 109278299) is N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is CN1CCN(c2cnc(C(=O)NC(C)(C)C)cn2)CC1.
What is the InChIKey of N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is RGANHAPNCPJYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-14(2,3)17-13(20)11-9-16-12(10-15-11)19-7-5-18(4)6-8-19/h9-10H,5-8H2,1-4H3,(H,17,20).
What are the key properties of N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109278299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).