N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide

C14H16BrN3OS — CID 106050529

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCCc2ccc(Br)s2)nc1
InChIInChI=1S/C14H16BrN3OS/c1-2-16-10-3-5-12(18-9-10)14(19)17-8-7-11-4-6-13(15)20-11/h3-6,9,16H,2,7-8H2,1H3,(H,17,19)
InChIKeyGCAYBEVRTWJJLI-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide (PubChem CID 106050529) 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]-5-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
PubChem CID106050529
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(C(=O)NCCc2ccc(Br)s2)nc1
InChIInChI=1S/C14H16BrN3OS/c1-2-16-10-3-5-12(18-9-10)14(19)17-8-7-11-4-6-13(15)20-11/h3-6,9,16H,2,7-8H2,1H3,(H,17,19)
InChIKeyGCAYBEVRTWJJLI-UHFFFAOYSA-N
XLogP3.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
5-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106409133
N-[(4-bromophenyl)methyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639845
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295
5-(ethylamino)-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641754
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 30389923
5-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490955
5-(ethylamino)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 104641912
5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104639889
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 71931193
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106050447

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide (CID 106050529) is N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(C(=O)NCCc2ccc(Br)s2)nc1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
The InChIKey is GCAYBEVRTWJJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-2-16-10-3-5-12(18-9-10)14(19)17-8-7-11-4-6-13(15)20-11/h3-6,9,16H,2,7-8H2,1H3,(H,17,19).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 3.31, 6 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]-5-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106050529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).