5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide

C21H21BrN4O — CID 3475535

IUPAC5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)c3cncc(Br)c3)cc12
InChIInChI=1S/C21H21BrN4O/c1-14-9-20(26-7-3-2-4-8-26)25-19-6-5-17(11-18(14)19)24-21(27)15-10-16(22)13-23-12-15/h5-6,9-13H,2-4,7-8H2,1H3,(H,24,27)
InChIKeyQJPMMRZKNJILLE-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.94
Rot. Bonds3

About 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide

5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide (PubChem CID 3475535) has the molecular formula C21H21BrN4O and a molecular weight of 425.33 g/mol. Its IUPAC name is 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide
PubChem CID3475535
Molecular FormulaC21H21BrN4O
Molecular Weight425.33 g/mol
Exact Mass424.09
IUPAC Name5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)c3cncc(Br)c3)cc12
InChIInChI=1S/C21H21BrN4O/c1-14-9-20(26-7-3-2-4-8-26)25-19-6-5-17(11-18(14)19)24-21(27)15-10-16(22)13-23-12-15/h5-6,9-13H,2-4,7-8H2,1H3,(H,24,27)
InChIKeyQJPMMRZKNJILLE-UHFFFAOYSA-N
XLogP4.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide (CID 3475535) is 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide is Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3cncc(Br)c3)cc12.
What is the InChIKey of 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide?
The InChIKey is QJPMMRZKNJILLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O/c1-14-9-20(26-7-3-2-4-8-26)25-19-6-5-17(11-18(14)19)24-21(27)15-10-16(22)13-23-12-15/h5-6,9-13H,2-4,7-8H2,1H3,(H,24,27).
What are the key properties of 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide?
5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide has a molecular weight of 425.33 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3475535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).