N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide

C13H14BrN3OS — CID 55046912

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C13H14BrN3OS/c1-15-10-3-4-16-11(6-10)13(18)17(2)7-9-5-12(14)19-8-9/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyJYBICTGRZDHQQY-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.22
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide (PubChem CID 55046912) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
PubChem CID55046912
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C13H14BrN3OS/c1-15-10-3-4-16-11(6-10)13(18)17(2)7-9-5-12(14)19-8-9/h3-6,8H,7H2,1-2H3,(H,15,16)
InChIKeyJYBICTGRZDHQQY-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

N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-[(5-bromothiophen-3-yl)methyl]-5-hydrazinyl-N-methylpyridine-2-carboxamide
CID 113436313
N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62179582
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914
N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 64517368
N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64518148
N-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248535
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 62186650
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
CID 81226605

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide (CID 55046912) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide is CNc1ccnc(C(=O)N(C)Cc2csc(Br)c2)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is JYBICTGRZDHQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-15-10-3-4-16-11(6-10)13(18)17(2)7-9-5-12(14)19-8-9/h3-6,8H,7H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-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-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 55046912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).