6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide

C21H15BrN4O2 — CID 134061355

IUPAC6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C21H15BrN4O2/c1-13-16(9-10-18(24-13)14-5-4-6-15(22)11-14)20(27)25-26-12-23-19-8-3-2-7-17(19)21(26)28/h2-12H,1H3,(H,25,27)
InChIKeyTUYVNQVWMBQGOY-UHFFFAOYSA-N
MW435.28 g/mol
LogP3.91
Rot. Bonds3

About 6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide

6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide (PubChem CID 134061355) has the molecular formula C21H15BrN4O2 and a molecular weight of 435.28 g/mol. Its IUPAC name is 6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide
PubChem CID134061355
Molecular FormulaC21H15BrN4O2
Molecular Weight435.28 g/mol
Exact Mass434.04
IUPAC Name6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C21H15BrN4O2/c1-13-16(9-10-18(24-13)14-5-4-6-15(22)11-14)20(27)25-26-12-23-19-8-3-2-7-17(19)21(26)28/h2-12H,1H3,(H,25,27)
InChIKeyTUYVNQVWMBQGOY-UHFFFAOYSA-N
XLogP3.91
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
6-(3-bromophenyl)-N-(2,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 27005490
6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 30751977
2-methyl-6-phenyl-N-quinolin-5-ylpyridine-3-carboxamide
CID 34130475
6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide
CID 27018737
6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide
CID 39428114
6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
6-(3-bromophenyl)-2-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46480790

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide (CID 134061355) is 6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide?
The InChIKey is TUYVNQVWMBQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN4O2/c1-13-16(9-10-18(24-13)14-5-4-6-15(22)11-14)20(27)25-26-12-23-19-8-3-2-7-17(19)21(26)28/h2-12H,1H3,(H,25,27).
What are the key properties of 6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide?
6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide has a molecular weight of 435.28 g/mol, XLogP of 3.91, 3 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-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 134061355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).