N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide

C13H14BrN3OS — CID 62174359

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2cc(Br)cs2)ccn1
InChIInChI=1S/C13H14BrN3OS/c1-15-12-5-9(3-4-16-12)13(18)17(2)7-11-6-10(14)8-19-11/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyVYHHUFMAMMSTMU-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.22
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide (PubChem CID 62174359) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
PubChem CID62174359
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2cc(Br)cs2)ccn1
InChIInChI=1S/C13H14BrN3OS/c1-15-12-5-9(3-4-16-12)13(18)17(2)7-11-6-10(14)8-19-11/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyVYHHUFMAMMSTMU-UHFFFAOYSA-N
XLogP3.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62173439
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62170882
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248535
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060233
2-(ethylamino)-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55047494
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
CID 47421884
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243894
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
CID 62921447

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide (CID 62174359) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)Cc2cc(Br)cs2)ccn1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is VYHHUFMAMMSTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-15-12-5-9(3-4-16-12)13(18)17(2)7-11-6-10(14)8-19-11/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62174359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).