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

C11H13BrN6O — CID 106283519

IUPAC5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C11H13BrN6O/c1-6(9-15-5-16-18-9)17-11(19)8-3-7(12)4-14-10(8)13-2/h3-6H,1-2H3,(H,13,14)(H,17,19)(H,15,16,18)
InChIKeyIVBUPOUKGXJDHG-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.49
Rot. Bonds4

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

5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 106283519) has the molecular formula C11H13BrN6O and a molecular weight of 325.17 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID106283519
Molecular FormulaC11H13BrN6O
Molecular Weight325.17 g/mol
Exact Mass324.03
IUPAC Name5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C11H13BrN6O/c1-6(9-15-5-16-18-9)17-11(19)8-3-7(12)4-14-10(8)13-2/h3-6H,1-2H3,(H,13,14)(H,17,19)(H,15,16,18)
InChIKeyIVBUPOUKGXJDHG-UHFFFAOYSA-N
XLogP1.49
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114194097
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106283477
5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)pyridine-3-carboxamide
CID 55046150
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 65053033
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702
5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283670
3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 138026371
5-bromo-2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62178901

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (CID 106283519) is 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is IVBUPOUKGXJDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O/c1-6(9-15-5-16-18-9)17-11(19)8-3-7(12)4-14-10(8)13-2/h3-6H,1-2H3,(H,13,14)(H,17,19)(H,15,16,18).
What are the key properties of 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 325.17 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 106283519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).