N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide

C14H14BrN3O2 — CID 63860296

IUPACN-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1cncc(O)c1
InChIInChI=1S/C14H14BrN3O2/c1-18(2)13-4-3-10(15)6-12(13)17-14(20)9-5-11(19)8-16-7-9/h3-8,19H,1-2H3,(H,17,20)
InChIKeyMQCZSYXVBQHWSQ-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.87
Rot. Bonds3

About N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide

N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 63860296) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
PubChem CID63860296
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)c1cncc(O)c1
InChIInChI=1S/C14H14BrN3O2/c1-18(2)13-4-3-10(15)6-12(13)17-14(20)9-5-11(19)8-16-7-9/h3-8,19H,1-2H3,(H,17,20)
InChIKeyMQCZSYXVBQHWSQ-UHFFFAOYSA-N
XLogP2.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166
N-[5-bromo-2-(dimethylamino)phenyl]-5-iodothiophene-3-carboxamide
CID 78948597
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-(6-bromo-2-methyl-3-pyridinyl)-5-hydroxypyridine-3-carboxamide
CID 113349996
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 103885438
6-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 103889568
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 103758959
N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide
CID 75468791
N-(2-bromo-4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 55257449

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide (CID 63860296) is N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide is CN(C)c1ccc(Br)cc1NC(=O)c1cncc(O)c1.
What is the InChIKey of N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is MQCZSYXVBQHWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-18(2)13-4-3-10(15)6-12(13)17-14(20)9-5-11(19)8-16-7-9/h3-8,19H,1-2H3,(H,17,20).
What are the key properties of N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide?
N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 63860296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).