N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide

C12H13BrN4OS — CID 62248535

IUPACN-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1cc(NN)ccn1
InChIInChI=1S/C12H13BrN4OS/c1-17(6-10-4-8(13)7-19-10)12(18)11-5-9(16-14)2-3-15-11/h2-5,7H,6,14H2,1H3,(H,15,16)
InChIKeyKBGSDDSOZVKBNK-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.46
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide (PubChem CID 62248535) has the molecular formula C12H13BrN4OS and a molecular weight of 341.23 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
PubChem CID62248535
Molecular FormulaC12H13BrN4OS
Molecular Weight341.23 g/mol
Exact Mass340.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1cc(NN)ccn1
InChIInChI=1S/C12H13BrN4OS/c1-17(6-10-4-8(13)7-19-10)12(18)11-5-9(16-14)2-3-15-11/h2-5,7H,6,14H2,1H3,(H,15,16)
InChIKeyKBGSDDSOZVKBNK-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

4-hydrazinyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62236807
N-[(4-fluorophenyl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62243720
1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
CID 79259910
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
4-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 112664397
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174359
4-hydrazinyl-N-methyl-N-(2-methylbutyl)pyridine-2-carboxamide
CID 62242835
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55046912
N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81256110
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060233
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389291

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide (CID 62248535) is N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide is CN(Cc1cc(Br)cs1)C(=O)c1cc(NN)ccn1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide?
The InChIKey is KBGSDDSOZVKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4OS/c1-17(6-10-4-8(13)7-19-10)12(18)11-5-9(16-14)2-3-15-11/h2-5,7H,6,14H2,1H3,(H,15,16).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-4-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-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62248535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).