3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide

C17H20N4O — CID 95825716

IUPAC3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2cncc(CC[C@@H]3CCCN3)n2)c1
InChIInChI=1S/C17H20N4O/c18-17(22)13-4-1-3-12(9-13)16-11-19-10-15(21-16)7-6-14-5-2-8-20-14/h1,3-4,9-11,14,20H,2,5-8H2,(H2,18,22)/t14-/m0/s1
InChIKeyJDXUVMTXXNVPIK-AWEZNQCLSA-N
MW296.37 g/mol
LogP1.93
Rot. Bonds5

About 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide

3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide (PubChem CID 95825716) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide
PubChem CID95825716
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2cncc(CC[C@@H]3CCCN3)n2)c1
InChIInChI=1S/C17H20N4O/c18-17(22)13-4-1-3-12(9-13)16-11-19-10-15(21-16)7-6-14-5-2-8-20-14/h1,3-4,9-11,14,20H,2,5-8H2,(H2,18,22)/t14-/m0/s1
InChIKeyJDXUVMTXXNVPIK-AWEZNQCLSA-N
XLogP1.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(2-pyrrolidin-2-ylethyl)pyrazin-2-yl]benzamide
CID 110257585
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
3-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62211801
3-[5-(aminomethyl)pyrazin-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 91342465
3-[5-(piperidin-3-ylmethyl)pyrazin-2-yl]benzamide
CID 110257586
3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
CID 61366263
2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine
CID 62216718
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
CID 79540029
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106614911
6-(2-piperidin-2-ylethoxy)pyridine-2-carboxamide
CID 64589008
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104973102

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide?
The IUPAC name of 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide (CID 95825716) is 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide?
The canonical SMILES for 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide is NC(=O)c1cccc(-c2cncc(CC[C@@H]3CCCN3)n2)c1.
What is the InChIKey of 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide?
The InChIKey is JDXUVMTXXNVPIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O/c18-17(22)13-4-1-3-12(9-13)16-11-19-10-15(21-16)7-6-14-5-2-8-20-14/h1,3-4,9-11,14,20H,2,5-8H2,(H2,18,22)/t14-/m0/s1.
What are the key properties of 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide?
3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 95825716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).