N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide

C18H18N4O2 — CID 45252166

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CC(=O)N(C2Cc3ccccc3C2)C1)c1cnccn1
InChIInChI=1S/C18H18N4O2/c23-17-9-14(21-18(24)16-10-19-5-6-20-16)11-22(17)15-7-12-3-1-2-4-13(12)8-15/h1-6,10,14-15H,7-9,11H2,(H,21,24)
InChIKeySGIFVSJHSSMHSX-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.97
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide

N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 45252166) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID45252166
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CC(=O)N(C2Cc3ccccc3C2)C1)c1cnccn1
InChIInChI=1S/C18H18N4O2/c23-17-9-14(21-18(24)16-10-19-5-6-20-16)11-22(17)15-7-12-3-1-2-4-13(12)8-15/h1-6,10,14-15H,7-9,11H2,(H,21,24)
InChIKeySGIFVSJHSSMHSX-UHFFFAOYSA-N
XLogP0.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide (CID 45252166) is N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide is O=C(NC1CC(=O)N(C2Cc3ccccc3C2)C1)c1cnccn1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is SGIFVSJHSSMHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17-9-14(21-18(24)16-10-19-5-6-20-16)11-22(17)15-7-12-3-1-2-4-13(12)8-15/h1-6,10,14-15H,7-9,11H2,(H,21,24).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 45252166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).