N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide

C13H14BrN5O — CID 107377870

IUPACN-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cnc(NN)cn1
InChIInChI=1S/C13H14BrN5O/c1-19(8-9-3-2-4-10(14)5-9)13(20)11-6-17-12(18-15)7-16-11/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeySJVJLWBWRSGLKB-UHFFFAOYSA-N
MW336.19 g/mol
LogP1.80
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide

N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide (PubChem CID 107377870) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide
PubChem CID107377870
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC NameN-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1cnc(NN)cn1
InChIInChI=1S/C13H14BrN5O/c1-19(8-9-3-2-4-10(14)5-9)13(20)11-6-17-12(18-15)7-16-11/h2-7H,8,15H2,1H3,(H,17,18)
InChIKeySJVJLWBWRSGLKB-UHFFFAOYSA-N
XLogP1.80
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
N-[(3-cyanophenyl)methyl]-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375530
5-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrazine-2-carboxamide
CID 107377812
N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
CID 109281131
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62173439
N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
N-benzyl-5-(2,6-dimethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281079
N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62238406
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide (CID 107377870) is N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide is CN(Cc1cccc(Br)c1)C(=O)c1cnc(NN)cn1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide?
The InChIKey is SJVJLWBWRSGLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c1-19(8-9-3-2-4-10(14)5-9)13(20)11-6-17-12(18-15)7-16-11/h2-7H,8,15H2,1H3,(H,17,18).
What are the key properties of N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide?
N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-hydrazinyl-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 107377870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).