N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide

C16H16N4O2 — CID 656182

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cnccn1
InChIInChI=1S/C16H16N4O2/c21-15-2-1-9-20(15)13-5-3-12(4-6-13)10-19-16(22)14-11-17-7-8-18-14/h3-8,11H,1-2,9-10H2,(H,19,22)
InChIKeyKXVYHVWFKUOWBO-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.53
Rot. Bonds4

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 656182) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID656182
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cnccn1
InChIInChI=1S/C16H16N4O2/c21-15-2-1-9-20(15)13-5-3-12(4-6-13)10-19-16(22)14-11-17-7-8-18-14/h3-8,11H,1-2,9-10H2,(H,19,22)
InChIKeyKXVYHVWFKUOWBO-UHFFFAOYSA-N
XLogP1.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide (CID 656182) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cnccn1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is KXVYHVWFKUOWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15-2-1-9-20(15)13-5-3-12(4-6-13)10-19-16(22)14-11-17-7-8-18-14/h3-8,11H,1-2,9-10H2,(H,19,22).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 656182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).