5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide

C17H28N4O — CID 109287769

IUPAC5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCCC1CCCCN1c1cnc(C(=O)NCCC(C)C)cn1
InChIInChI=1S/C17H28N4O/c1-4-14-7-5-6-10-21(14)16-12-19-15(11-20-16)17(22)18-9-8-13(2)3/h11-14H,4-10H2,1-3H3,(H,18,22)
InChIKeyKQJDXHWBSZFCBV-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.02
Rot. Bonds6

About 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide

5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide (PubChem CID 109287769) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
PubChem CID109287769
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCCC1CCCCN1c1cnc(C(=O)NCCC(C)C)cn1
InChIInChI=1S/C17H28N4O/c1-4-14-7-5-6-10-21(14)16-12-19-15(11-20-16)17(22)18-9-8-13(2)3/h11-14H,4-10H2,1-3H3,(H,18,22)
InChIKeyKQJDXHWBSZFCBV-UHFFFAOYSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109274707
5-(2-ethylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281326
N-(3-methylbutyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274517
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
5-(2-ethylpiperidin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280798
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288601
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109239784
6-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111233
5-(2-ethylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109288675
[5-(2-ethylpiperidin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275073
N-(3-methylbutyl)-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276630
5-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109288653

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide (CID 109287769) is 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide is CCC1CCCCN1c1cnc(C(=O)NCCC(C)C)cn1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide?
The InChIKey is KQJDXHWBSZFCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-14-7-5-6-10-21(14)16-12-19-15(11-20-16)17(22)18-9-8-13(2)3/h11-14H,4-10H2,1-3H3,(H,18,22).
What are the key properties of 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide?
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).