5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide

C12H18N4O — CID 104955274

IUPAC5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC[C@@H]2CCCN2)cn1
InChIInChI=1S/C12H18N4O/c1-9-7-16-11(8-15-9)12(17)14-6-4-10-3-2-5-13-10/h7-8,10,13H,2-6H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyXGXXJMCSEJZPNA-JTQLQIEISA-N
MW234.30 g/mol
LogP0.66
Rot. Bonds4

About 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide

5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 104955274) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
PubChem CID104955274
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC[C@@H]2CCCN2)cn1
InChIInChI=1S/C12H18N4O/c1-9-7-16-11(8-15-9)12(17)14-6-4-10-3-2-5-13-10/h7-8,10,13H,2-6H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyXGXXJMCSEJZPNA-JTQLQIEISA-N
XLogP0.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 104971777
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 114793983
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazine-2-carboxamide
CID 106608117
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
3-ethyl-6-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridazine-4-carboxamide
CID 104971654
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]furan-2-carboxamide
CID 104972070

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide (CID 104955274) is 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCC[C@@H]2CCCN2)cn1.
What is the InChIKey of 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is XGXXJMCSEJZPNA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-7-16-11(8-15-9)12(17)14-6-4-10-3-2-5-13-10/h7-8,10,13H,2-6H2,1H3,(H,14,17)/t10-/m0/s1.
What are the key properties of 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide?
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 104955274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).