5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C12H14BrN5O2 — CID 86801961

IUPAC5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCn2cnnc2C)cc1Br
InChIInChI=1S/C12H14BrN5O2/c1-7-10(13)5-9(12(20)16-7)11(19)14-3-4-18-6-15-17-8(18)2/h5-6H,3-4H2,1-2H3,(H,14,19)(H,16,20)
InChIKeyFIKBXBUANNQWEC-UHFFFAOYSA-N
MW340.18 g/mol
LogP0.78
Rot. Bonds4

About 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 86801961) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID86801961
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)NCCn2cnnc2C)cc1Br
InChIInChI=1S/C12H14BrN5O2/c1-7-10(13)5-9(12(20)16-7)11(19)14-3-4-18-6-15-17-8(18)2/h5-6H,3-4H2,1-2H3,(H,14,19)(H,16,20)
InChIKeyFIKBXBUANNQWEC-UHFFFAOYSA-N
XLogP0.78
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylnicotinamide
CID 70728441
5-bromo-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86801944
5-bromo-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86801947
5-bromo-1-methyl-2-oxo-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 164639552
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60983309
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64512070
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 167786478
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45895777
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 53532976
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-hydroxy-6-methylnicotinamide
CID 56718919
3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 60559275
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 64510339

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 86801961) is 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCCn2cnnc2C)cc1Br.
What is the InChIKey of 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FIKBXBUANNQWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-7-10(13)5-9(12(20)16-7)11(19)14-3-4-18-6-15-17-8(18)2/h5-6H,3-4H2,1-2H3,(H,14,19)(H,16,20).
What are the key properties of 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 340.18 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86801961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).