5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide

C11H8BrN5O — CID 104593149

IUPAC5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCn1cc(C#N)c(NC(=O)c2ccc(Br)cn2)n1
InChIInChI=1S/C11H8BrN5O/c1-17-6-7(4-13)10(16-17)15-11(18)9-3-2-8(12)5-14-9/h2-3,5-6H,1H3,(H,15,16,18)
InChIKeySFYSAHRSZURADP-UHFFFAOYSA-N
MW306.12 g/mol
LogP1.70
Rot. Bonds2

About 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide

5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 104593149) has the molecular formula C11H8BrN5O and a molecular weight of 306.12 g/mol. Its IUPAC name is 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID104593149
Molecular FormulaC11H8BrN5O
Molecular Weight306.12 g/mol
Exact Mass304.99
IUPAC Name5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCn1cc(C#N)c(NC(=O)c2ccc(Br)cn2)n1
InChIInChI=1S/C11H8BrN5O/c1-17-6-7(4-13)10(16-17)15-11(18)9-3-2-8(12)5-14-9/h2-3,5-6H,1H3,(H,15,16,18)
InChIKeySFYSAHRSZURADP-UHFFFAOYSA-N
XLogP1.70
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide
CID 104593077
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CID 112696256
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-3-methylbenzamide
CID 103857168
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 113248158
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
CID 104593096
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide
CID 112697621
N-(4-cyano-1-methylpyrazol-3-yl)-6-propan-2-yloxypyridine-2-carboxamide
CID 75389228
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 104593170
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 104593061
1-(4-cyano-1-methylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 104593247

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide (CID 104593149) is 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide is Cn1cc(C#N)c(NC(=O)c2ccc(Br)cn2)n1.
What is the InChIKey of 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is SFYSAHRSZURADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O/c1-17-6-7(4-13)10(16-17)15-11(18)9-3-2-8(12)5-14-9/h2-3,5-6H,1H3,(H,15,16,18).
What are the key properties of 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide?
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 306.12 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 104593149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).