3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide

C12H19N5O — CID 94018036

IUPAC3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1nccnc1N
InChIInChI=1S/C12H19N5O/c1-2-17-7-3-4-9(17)8-16-12(18)10-11(13)15-6-5-14-10/h5-6,9H,2-4,7-8H2,1H3,(H2,13,15)(H,16,18)/t9-/m0/s1
InChIKeyXSTXUPYUYFKPPC-VIFPVBQESA-N
MW249.32 g/mol
LogP0.27
Rot. Bonds4

About 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 94018036) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID94018036
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)c1nccnc1N
InChIInChI=1S/C12H19N5O/c1-2-17-7-3-4-9(17)8-16-12(18)10-11(13)15-6-5-14-10/h5-6,9H,2-4,7-8H2,1H3,(H2,13,15)(H,16,18)/t9-/m0/s1
InChIKeyXSTXUPYUYFKPPC-VIFPVBQESA-N
XLogP0.27
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66120254
4-amino-2-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668738
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide (CID 94018036) is 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide is CCN1CCC[C@H]1CNC(=O)c1nccnc1N.
What is the InChIKey of 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is XSTXUPYUYFKPPC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-17-7-3-4-9(17)8-16-12(18)10-11(13)15-6-5-14-10/h5-6,9H,2-4,7-8H2,1H3,(H2,13,15)(H,16,18)/t9-/m0/s1.
What are the key properties of 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 94018036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).