N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide

C13H15BrN4OS — CID 81256288

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(NN)c(C(=O)N(C)Cc2csc(Br)c2)cn1
InChIInChI=1S/C13H15BrN4OS/c1-8-3-11(17-15)10(5-16-8)13(19)18(2)6-9-4-12(14)20-7-9/h3-5,7H,6,15H2,1-2H3,(H,16,17)
InChIKeyQDJDVYJHLRAVOR-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.77
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide (PubChem CID 81256288) has the molecular formula C13H15BrN4OS and a molecular weight of 355.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
PubChem CID81256288
Molecular FormulaC13H15BrN4OS
Molecular Weight355.26 g/mol
Exact Mass354.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(NN)c(C(=O)N(C)Cc2csc(Br)c2)cn1
InChIInChI=1S/C13H15BrN4OS/c1-8-3-11(17-15)10(5-16-8)13(19)18(2)6-9-4-12(14)20-7-9/h3-5,7H,6,15H2,1-2H3,(H,16,17)
InChIKeyQDJDVYJHLRAVOR-UHFFFAOYSA-N
XLogP2.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.77
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-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81256110
4-hydrazinyl-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 81255580
N-[(3-chlorophenyl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81239957
N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide
CID 113436313
4-hydrazinyl-N,6-dimethyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 81256582
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
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 105420464
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
CID 81226605
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide (CID 81256288) is N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide is Cc1cc(NN)c(C(=O)N(C)Cc2csc(Br)c2)cn1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is QDJDVYJHLRAVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4OS/c1-8-3-11(17-15)10(5-16-8)13(19)18(2)6-9-4-12(14)20-7-9/h3-5,7H,6,15H2,1-2H3,(H,16,17).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 355.26 g/mol, XLogP of 2.77, 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]-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81256288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).