6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide

C21H16BrN5O — CID 30822082

IUPAC6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C21H16BrN5O/c1-14-18(7-8-19(25-14)15-4-2-5-16(22)12-15)21(28)26-17-6-9-20(23-13-17)27-11-3-10-24-27/h2-13H,1H3,(H,26,28)
InChIKeyNJQVYJINYUZQJZ-UHFFFAOYSA-N
MW434.30 g/mol
LogP4.65
Rot. Bonds4

About 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide

6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 30822082) has the molecular formula C21H16BrN5O and a molecular weight of 434.30 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID30822082
Molecular FormulaC21H16BrN5O
Molecular Weight434.30 g/mol
Exact Mass433.05
IUPAC Name6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C21H16BrN5O/c1-14-18(7-8-19(25-14)15-4-2-5-16(22)12-15)21(28)26-17-6-9-20(23-13-17)27-11-3-10-24-27/h2-13H,1H3,(H,26,28)
InChIKeyNJQVYJINYUZQJZ-UHFFFAOYSA-N
XLogP4.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075
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3-(4-bromophenyl)-N-(6-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 46554089
6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
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2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide
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6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide
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N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
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6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
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2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
CID 103754177
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide (CID 30822082) is 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is NJQVYJINYUZQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN5O/c1-14-18(7-8-19(25-14)15-4-2-5-16(22)12-15)21(28)26-17-6-9-20(23-13-17)27-11-3-10-24-27/h2-13H,1H3,(H,26,28).
What are the key properties of 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide?
6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 434.30 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 30822082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).