5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide

C14H16BrN3OS — CID 62169182

IUPAC5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C14H16BrN3OS/c1-3-16-13-11(7-10(15)8-17-13)14(19)18-9(2)12-5-4-6-20-12/h4-9H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDZNAFDWBUMVWHN-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.83
Rot. Bonds5

About 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide

5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 62169182) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID62169182
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NC(C)c1cccs1
InChIInChI=1S/C14H16BrN3OS/c1-3-16-13-11(7-10(15)8-17-13)14(19)18-9(2)12-5-4-6-20-12/h4-9H,3H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDZNAFDWBUMVWHN-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148004
5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid
CID 62000750
5-bromo-2-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 62176839
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 63185485
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62166744
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168742
5-bromo-2-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
CID 62184957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 62169182) is 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)NC(C)c1cccs1.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is DZNAFDWBUMVWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-3-16-13-11(7-10(15)8-17-13)14(19)18-9(2)12-5-4-6-20-12/h4-9H,3H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide?
5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62169182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).