5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide

C11H13ClN4O2 — CID 103803397

IUPAC5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cnc(Cl)cn1
InChIInChI=1S/C11H13ClN4O2/c12-9-6-13-8(5-14-9)11(18)15-7-10(17)16-3-1-2-4-16/h5-6H,1-4,7H2,(H,15,18)
InChIKeyPHASVXOUNHLHDM-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.48
Rot. Bonds3

About 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide

5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide (PubChem CID 103803397) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide
PubChem CID103803397
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cnc(Cl)cn1
InChIInChI=1S/C11H13ClN4O2/c12-9-6-13-8(5-14-9)11(18)15-7-10(17)16-3-1-2-4-16/h5-6H,1-4,7H2,(H,15,18)
InChIKeyPHASVXOUNHLHDM-UHFFFAOYSA-N
XLogP0.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685506
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 46525121
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
N-(2-oxo-2-piperidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112686233
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
5-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrazine-2-carboxamide
CID 107257583
5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 115618777
5-chloro-N-(2,2,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107258493
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazine-2-carboxamide
CID 107371808
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide (CID 103803397) is 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide is O=C(NCC(=O)N1CCCC1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide?
The InChIKey is PHASVXOUNHLHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c12-9-6-13-8(5-14-9)11(18)15-7-10(17)16-3-1-2-4-16/h5-6H,1-4,7H2,(H,15,18).
What are the key properties of 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide?
5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide has a molecular weight of 268.70 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103803397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).