(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C17H24N4O2 — CID 124947122

IUPAC(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C17H24N4O2/c18-16(23)17(14-12-19-9-10-20-14)8-3-11-21(17)15(22)7-6-13-4-1-2-5-13/h9-10,12-13H,1-8,11H2,(H2,18,23)/t17-/m0/s1
InChIKeyCDLONVJLXQFJKJ-KRWDZBQOSA-N
MW316.40 g/mol
LogP1.75
Rot. Bonds5

About (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 124947122) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID124947122
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C17H24N4O2/c18-16(23)17(14-12-19-9-10-20-14)8-3-11-21(17)15(22)7-6-13-4-1-2-5-13/h9-10,12-13H,1-8,11H2,(H2,18,23)/t17-/m0/s1
InChIKeyCDLONVJLXQFJKJ-KRWDZBQOSA-N
XLogP1.75
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 124947122) is (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is CDLONVJLXQFJKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N4O2/c18-16(23)17(14-12-19-9-10-20-14)8-3-11-21(17)15(22)7-6-13-4-1-2-5-13/h9-10,12-13H,1-8,11H2,(H2,18,23)/t17-/m0/s1.
What are the key properties of (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124947122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).