N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide

C12H13BrN4OS — CID 113436313

IUPACN-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccc(NN)cn1
InChIInChI=1S/C12H13BrN4OS/c1-17(6-8-4-11(13)19-7-8)12(18)10-3-2-9(16-14)5-15-10/h2-5,7,16H,6,14H2,1H3
InChIKeyCGOAALKZEKMHNB-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.46
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide (PubChem CID 113436313) has the molecular formula C12H13BrN4OS and a molecular weight of 341.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide
PubChem CID113436313
Molecular FormulaC12H13BrN4OS
Molecular Weight341.23 g/mol
Exact Mass340.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1ccc(NN)cn1
InChIInChI=1S/C12H13BrN4OS/c1-17(6-8-4-11(13)19-7-8)12(18)10-3-2-9(16-14)5-15-10/h2-5,7,16H,6,14H2,1H3
InChIKeyCGOAALKZEKMHNB-UHFFFAOYSA-N
XLogP2.46
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.46
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-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55046912
N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81256288
N-[(2-chlorophenyl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide
CID 104642594
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 62186650
N-[(5-bromothiophen-3-yl)methyl]-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62661675
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914
N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248535
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
CID 81226605
N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86839473
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide (CID 113436313) is N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide is CN(Cc1csc(Br)c1)C(=O)c1ccc(NN)cn1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide?
The InChIKey is CGOAALKZEKMHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4OS/c1-17(6-8-4-11(13)19-7-8)12(18)10-3-2-9(16-14)5-15-10/h2-5,7,16H,6,14H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide has a molecular weight of 341.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 113436313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).