5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide

C18H20BrN3O3 — CID 102557819

IUPAC5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ncc(Br)cc1C(=O)Nc1ccc(OC2CCOC2)cc1
InChIInChI=1S/C18H20BrN3O3/c1-22(2)17-16(9-12(19)10-20-17)18(23)21-13-3-5-14(6-4-13)25-15-7-8-24-11-15/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyLDTHYSNAERYZBW-UHFFFAOYSA-N
MW406.28 g/mol
LogP3.33
Rot. Bonds5

About 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide

5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide (PubChem CID 102557819) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide
PubChem CID102557819
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC Name5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide
SMILESCN(C)c1ncc(Br)cc1C(=O)Nc1ccc(OC2CCOC2)cc1
InChIInChI=1S/C18H20BrN3O3/c1-22(2)17-16(9-12(19)10-20-17)18(23)21-13-3-5-14(6-4-13)25-15-7-8-24-11-15/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyLDTHYSNAERYZBW-UHFFFAOYSA-N
XLogP3.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide (CID 102557819) is 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide is CN(C)c1ncc(Br)cc1C(=O)Nc1ccc(OC2CCOC2)cc1.
What is the InChIKey of 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide?
The InChIKey is LDTHYSNAERYZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c1-22(2)17-16(9-12(19)10-20-17)18(23)21-13-3-5-14(6-4-13)25-15-7-8-24-11-15/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide?
5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide has a molecular weight of 406.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dimethylamino)-N-[4-(oxolan-3-yloxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 102557819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).