N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide

C13H20N4O — CID 141475460

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCN1CCC(CCNC(=O)c2cnccn2)CC1
InChIInChI=1S/C13H20N4O/c1-17-8-3-11(4-9-17)2-5-16-13(18)12-10-14-6-7-15-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyIRDFUBPSTXXUEZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.94
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide

N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 141475460) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
PubChem CID141475460
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
SMILESCN1CCC(CCNC(=O)c2cnccn2)CC1
InChIInChI=1S/C13H20N4O/c1-17-8-3-11(4-9-17)2-5-16-13(18)12-10-14-6-7-15-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,18)
InChIKeyIRDFUBPSTXXUEZ-UHFFFAOYSA-N
XLogP0.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(1-methylpiperidin-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114516523
5-hydrazinyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 114516677
N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
CID 91903616
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 107519431
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 141475453
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
N-ethyl-4-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxamide
CID 114516097
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide (CID 141475460) is N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide is CN1CCC(CCNC(=O)c2cnccn2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is IRDFUBPSTXXUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-8-3-11(4-9-17)2-5-16-13(18)12-10-14-6-7-15-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,18).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 141475460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).