3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide

C14H20N4O2 — CID 127248108

IUPAC3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
SMILESCCNC(=O)c1nccnc1CC1CCN(C(C)=O)C1
InChIInChI=1S/C14H20N4O2/c1-3-15-14(20)13-12(16-5-6-17-13)8-11-4-7-18(9-11)10(2)19/h5-6,11H,3-4,7-9H2,1-2H3,(H,15,20)
InChIKeyKVMGTWBSDXOEPR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.64
Rot. Bonds4

About 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide

3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide (PubChem CID 127248108) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
PubChem CID127248108
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide
SMILESCCNC(=O)c1nccnc1CC1CCN(C(C)=O)C1
InChIInChI=1S/C14H20N4O2/c1-3-15-14(20)13-12(16-5-6-17-13)8-11-4-7-18(9-11)10(2)19/h5-6,11H,3-4,7-9H2,1-2H3,(H,15,20)
InChIKeyKVMGTWBSDXOEPR-UHFFFAOYSA-N
XLogP0.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
CID 110271533
3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide
CID 110257660
1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
1-[3-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102218
4-[(1-acetylpiperidin-4-yl)methyl]-N-ethylbenzamide
CID 110198056
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023202
1-[3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110100485
1-[(3R)-3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961794
3-[(1-methylpiperidin-3-yl)methyl]pyrazine-2-carboxylic acid
CID 167995771
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
ethane;1-[3-(ethylaminomethyl)pyrrolidin-1-yl]ethanone
CID 143082377

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide?
The IUPAC name of 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide (CID 127248108) is 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide?
The canonical SMILES for 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide is CCNC(=O)c1nccnc1CC1CCN(C(C)=O)C1.
What is the InChIKey of 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide?
The InChIKey is KVMGTWBSDXOEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-15-14(20)13-12(16-5-6-17-13)8-11-4-7-18(9-11)10(2)19/h5-6,11H,3-4,7-9H2,1-2H3,(H,15,20).
What are the key properties of 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide?
3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpyrrolidin-3-yl)methyl]-N-ethylpyrazine-2-carboxamide is sourced from PubChem (CID 127248108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).