N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide

C20H16BrN3O3 — CID 46488305

IUPACN-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C20H16BrN3O3/c1-13(25)23-16-5-7-17(8-6-16)24-20(26)14-2-11-19(22-12-14)27-18-9-3-15(21)4-10-18/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyLRHWMWJSACYPII-UHFFFAOYSA-N
MW426.27 g/mol
LogP4.85
Rot. Bonds5

About N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide

N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide (PubChem CID 46488305) has the molecular formula C20H16BrN3O3 and a molecular weight of 426.27 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
PubChem CID46488305
Molecular FormulaC20H16BrN3O3
Molecular Weight426.27 g/mol
Exact Mass425.04
IUPAC NameN-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1
InChIInChI=1S/C20H16BrN3O3/c1-13(25)23-16-5-7-17(8-6-16)24-20(26)14-2-11-19(22-12-14)27-18-9-3-15(21)4-10-18/h2-12H,1H3,(H,23,25)(H,24,26)
InChIKeyLRHWMWJSACYPII-UHFFFAOYSA-N
XLogP4.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108
6-(4-bromophenoxy)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 51117837
6-(4-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55786958
N-(2-amino-2-methylpropyl)-6-(4-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119625868
3-[4-[[5-[[4-(trifluoromethyl)phenyl]carbamoyl]-2-pyridinyl]oxy]phenyl]but-2-enoate
CID 151676144
6-(4-bromophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 55786845
6-(4-bromophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide
CID 49393966
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
5-[(4-bromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414649
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
6-(4-bromophenoxy)-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]pyridine-3-carboxamide
CID 100623073
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide (CID 46488305) is N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide?
The InChIKey is LRHWMWJSACYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3/c1-13(25)23-16-5-7-17(8-6-16)24-20(26)14-2-11-19(22-12-14)27-18-9-3-15(21)4-10-18/h2-12H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide?
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide has a molecular weight of 426.27 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 46488305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).