N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide

C14H14BrN3O2 — CID 71993926

IUPACN-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
SMILESCC(CNC(=O)c1cnccn1)Oc1cccc(Br)c1
InChIInChI=1S/C14H14BrN3O2/c1-10(20-12-4-2-3-11(15)7-12)8-18-14(19)13-9-16-5-6-17-13/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyAJQOZMQCHSYLDT-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide

N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide (PubChem CID 71993926) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
PubChem CID71993926
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
SMILESCC(CNC(=O)c1cnccn1)Oc1cccc(Br)c1
InChIInChI=1S/C14H14BrN3O2/c1-10(20-12-4-2-3-11(15)7-12)8-18-14(19)13-9-16-5-6-17-13/h2-7,9-10H,8H2,1H3,(H,18,19)
InChIKeyAJQOZMQCHSYLDT-UHFFFAOYSA-N
XLogP2.44
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide (CID 71993926) is N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide is CC(CNC(=O)c1cnccn1)Oc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide?
The InChIKey is AJQOZMQCHSYLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-10(20-12-4-2-3-11(15)7-12)8-18-14(19)13-9-16-5-6-17-13/h2-7,9-10H,8H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide?
N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71993926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).