N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide

C14H16BrN3OS — CID 106050469

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2ccc(Br)s2)cc(C)n1
InChIInChI=1S/C14H16BrN3OS/c1-9-7-10(8-13(16-2)18-9)14(19)17-6-5-11-3-4-12(15)20-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQQKKOOYEDNRLAA-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 106050469) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID106050469
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2ccc(Br)s2)cc(C)n1
InChIInChI=1S/C14H16BrN3OS/c1-9-7-10(8-13(16-2)18-9)14(19)17-6-5-11-3-4-12(15)20-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQQKKOOYEDNRLAA-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 30389923
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(dimethylamino)benzamide
CID 26082273
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-3-hydroxybenzamide
CID 103872156
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzamide
CID 103773107
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
4-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790295
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 71931193
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(chloromethyl)benzamide
CID 114138984
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(chloromethyl)benzamide
CID 106033728
N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106039099

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide (CID 106050469) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCCc2ccc(Br)s2)cc(C)n1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is QQKKOOYEDNRLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-9-7-10(8-13(16-2)18-9)14(19)17-6-5-11-3-4-12(15)20-11/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106050469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).