N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide

C13H20N4O — CID 47035916

IUPACN-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCC1CCCN(CCNC(=O)c2cnccn2)C1
InChIInChI=1S/C13H20N4O/c1-11-3-2-7-17(10-11)8-6-16-13(18)12-9-14-4-5-15-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,16,18)
InChIKeyXBLOMSOYWQXIOG-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.94
Rot. Bonds4

About N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide

N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 47035916) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
PubChem CID47035916
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
SMILESCC1CCCN(CCNC(=O)c2cnccn2)C1
InChIInChI=1S/C13H20N4O/c1-11-3-2-7-17(10-11)8-6-16-13(18)12-9-14-4-5-15-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,16,18)
InChIKeyXBLOMSOYWQXIOG-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

N-[2-(3-methoxypyrrolidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 141475453
N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
CID 98720786
N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94115500
N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 71689715
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
N-(1-methylpiperidin-3-yl)pyrazine-2-carboxamide
CID 110471343
N-[2-(2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]pyrazine-2-carboxamide
CID 45165893
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
1-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-6-oxopyridine-2-carboxamide
CID 97244814
4-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207494
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 94115528

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide (CID 47035916) is N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide is CC1CCCN(CCNC(=O)c2cnccn2)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is XBLOMSOYWQXIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11-3-2-7-17(10-11)8-6-16-13(18)12-9-14-4-5-15-12/h4-5,9,11H,2-3,6-8,10H2,1H3,(H,16,18).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(3-methylpiperidin-1-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-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47035916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).