5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide

C13H16BrN5O — CID 121018993

IUPAC5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
SMILESCC(C)C(Cn1nccn1)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H16BrN5O/c1-9(2)12(8-19-16-3-4-17-19)18-13(20)10-5-11(14)7-15-6-10/h3-7,9,12H,8H2,1-2H3,(H,18,20)
InChIKeyRRHJGRQQVZAUIJ-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.89
Rot. Bonds5

About 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide

5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide (PubChem CID 121018993) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
PubChem CID121018993
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
SMILESCC(C)C(Cn1nccn1)NC(=O)c1cncc(Br)c1
InChIInChI=1S/C13H16BrN5O/c1-9(2)12(8-19-16-3-4-17-19)18-13(20)10-5-11(14)7-15-6-10/h3-7,9,12H,8H2,1-2H3,(H,18,20)
InChIKeyRRHJGRQQVZAUIJ-UHFFFAOYSA-N
XLogP1.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121018999
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176822
4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176647
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
2,4,6-trimethyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176641
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
5-bromo-N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]furan-2-carboxamide
CID 129416601
3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 119101658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide (CID 121018993) is 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide is CC(C)C(Cn1nccn1)NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide?
The InChIKey is RRHJGRQQVZAUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-9(2)12(8-19-16-3-4-17-19)18-13(20)10-5-11(14)7-15-6-10/h3-7,9,12H,8H2,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide?
5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121018993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).