3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide

C16H13BrN4O2 — CID 46691827

IUPAC3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H13BrN4O2/c17-11-3-1-10(2-4-11)13-6-5-12(23-13)9-21-16(22)14-15(18)20-8-7-19-14/h1-8H,9H2,(H2,18,20)(H,21,22)
InChIKeySYJRNAJKSMLDPU-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.01
Rot. Bonds4

About 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 46691827) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID46691827
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H13BrN4O2/c17-11-3-1-10(2-4-11)13-6-5-12(23-13)9-21-16(22)14-15(18)20-8-7-19-14/h1-8H,9H2,(H2,18,20)(H,21,22)
InChIKeySYJRNAJKSMLDPU-UHFFFAOYSA-N
XLogP3.01
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide (CID 46691827) is 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is SYJRNAJKSMLDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c17-11-3-1-10(2-4-11)13-6-5-12(23-13)9-21-16(22)14-15(18)20-8-7-19-14/h1-8H,9H2,(H2,18,20)(H,21,22).
What are the key properties of 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 373.21 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 46691827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).