5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide

C16H12BrN3O — CID 62954817

IUPAC5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3cncc(Br)c3)c2n1
InChIInChI=1S/C16H12BrN3O/c1-10-5-6-11-3-2-4-14(15(11)19-10)20-16(21)12-7-13(17)9-18-8-12/h2-9H,1H3,(H,20,21)
InChIKeyGUOAOIJNTGNNRX-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.95
Rot. Bonds2

About 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide

5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide (PubChem CID 62954817) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
PubChem CID62954817
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3cncc(Br)c3)c2n1
InChIInChI=1S/C16H12BrN3O/c1-10-5-6-11-3-2-4-14(15(11)19-10)20-16(21)12-7-13(17)9-18-8-12/h2-9H,1H3,(H,20,21)
InChIKeyGUOAOIJNTGNNRX-UHFFFAOYSA-N
XLogP3.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
6-chloro-N-(2-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 103337437
4-bromo-N-(2-methylquinolin-8-yl)-1H-pyrrole-2-carboxamide
CID 62954640
3-acetamido-N-(2-methylquinolin-8-yl)benzamide
CID 110745574
N-(2-methylquinolin-8-yl)-3-phenylbenzamide
CID 171473806
6-amino-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62953787
5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
CID 23833429
4-(ethylamino)-N-(2-methylquinolin-8-yl)benzamide
CID 118902356
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
3-hydroxy-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 81440113
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
CID 805036

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide (CID 62954817) is 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide is Cc1ccc2cccc(NC(=O)c3cncc(Br)c3)c2n1.
What is the InChIKey of 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide?
The InChIKey is GUOAOIJNTGNNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-10-5-6-11-3-2-4-14(15(11)19-10)20-16(21)12-7-13(17)9-18-8-12/h2-9H,1H3,(H,20,21).
What are the key properties of 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide?
5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide has a molecular weight of 342.20 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62954817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).