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

C14H14BrN3O2 — CID 96568538

IUPACN-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
SMILESC[C@H](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)/t10-/m1/s1
InChIKeyAJQOZMQCHSYLDT-SNVBAGLBSA-N
MW336.19 g/mol
LogP2.44
Rot. Bonds5

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

N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide (PubChem CID 96568538) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
PubChem CID96568538
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide
SMILESC[C@H](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)/t10-/m1/s1
InChIKeyAJQOZMQCHSYLDT-SNVBAGLBSA-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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Related Compounds

2-(2-aminoethyl)-N-[2-(3-bromophenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 120636229
3-amino-N-[2-(3-bromophenoxy)propyl]butanamide
CID 119804606
2-acetamido-N-[2-(3-bromophenoxy)propyl]propanamide
CID 71993930
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
3-(3-bromophenoxy)-1-pyrazin-2-ylpropan-1-one
CID 54971804
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
CID 119335567
5-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2-oxazole-3-carboxamide
CID 126441100
N-(2,2-diethoxyethyl)pyrazine-2-carboxamide
CID 103602082
N-[2-(3-bromophenoxy)propyl]oxane-4-carboxamide
CID 71993929
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547
5-[2-(4-methylphenoxy)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685028

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide (CID 96568538) is N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide is C[C@H](CNC(=O)c1cnccn1)Oc1cccc(Br)c1.
What is the InChIKey of N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide?
The InChIKey is AJQOZMQCHSYLDT-SNVBAGLBSA-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)/t10-/m1/s1.
What are the key properties of N-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide?
N-[(2R)-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-[(2R)-2-(3-bromophenoxy)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 96568538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).