5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

C13H17BrN6O — CID 106304123

IUPAC5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NCc1nncn1CC
InChIInChI=1S/C13H17BrN6O/c1-3-15-12-10(5-9(14)6-16-12)13(21)17-7-11-19-18-8-20(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)(H,17,21)
InChIKeyNHEGKIMGQDIUHL-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.82
Rot. Bonds6

About 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 106304123) has the molecular formula C13H17BrN6O and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID106304123
Molecular FormulaC13H17BrN6O
Molecular Weight353.22 g/mol
Exact Mass352.06
IUPAC Name5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCCNc1ncc(Br)cc1C(=O)NCc1nncn1CC
InChIInChI=1S/C13H17BrN6O/c1-3-15-12-10(5-9(14)6-16-12)13(21)17-7-11-19-18-8-20(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)(H,17,21)
InChIKeyNHEGKIMGQDIUHL-UHFFFAOYSA-N
XLogP1.82
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

3-amino-5-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301578
5-amino-2-bromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 106301570
5-bromo-N-[1-(dimethylamino)propan-2-yl]-2-(ethylamino)pyridine-3-carboxamide
CID 82949791
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342458
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717599
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
6-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 106304155
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(propylamino)benzamide
CID 106303592
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106304510
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 105420299
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 114170871

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (CID 106304123) is 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is CCNc1ncc(Br)cc1C(=O)NCc1nncn1CC.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is NHEGKIMGQDIUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN6O/c1-3-15-12-10(5-9(14)6-16-12)13(21)17-7-11-19-18-8-20(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)(H,17,21).
What are the key properties of 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 106304123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).