N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide

C14H13BrN4O2 — CID 56814670

IUPACN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1cnccn1
InChIInChI=1S/C14H13BrN4O2/c15-11-3-1-10(2-4-11)8-19(9-13(16)20)14(21)12-7-17-5-6-18-12/h1-7H,8-9H2,(H2,16,20)
InChIKeyHFACIOFQTKKNKH-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.37
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide

N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 56814670) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide
PubChem CID56814670
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide
SMILESNC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1cnccn1
InChIInChI=1S/C14H13BrN4O2/c15-11-3-1-10(2-4-11)8-19(9-13(16)20)14(21)12-7-17-5-6-18-12/h1-7H,8-9H2,(H2,16,20)
InChIKeyHFACIOFQTKKNKH-UHFFFAOYSA-N
XLogP1.37
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide (CID 56814670) is N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide is NC(=O)CN(Cc1ccc(Br)cc1)C(=O)c1cnccn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is HFACIOFQTKKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c15-11-3-1-10(2-4-11)8-19(9-13(16)20)14(21)12-7-17-5-6-18-12/h1-7H,8-9H2,(H2,16,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 56814670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).