N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide

C13H11BrN2O2 — CID 110776808

IUPACN-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccncc2)cc1Br
InChIInChI=1S/C13H11BrN2O2/c1-18-12-3-2-10(8-11(12)14)16-13(17)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,17)
InChIKeyXTQJMOJXJNVGCH-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.11
Rot. Bonds3

About N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide

N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 110776808) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID110776808
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC NameN-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccncc2)cc1Br
InChIInChI=1S/C13H11BrN2O2/c1-18-12-3-2-10(8-11(12)14)16-13(17)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,17)
InChIKeyXTQJMOJXJNVGCH-UHFFFAOYSA-N
XLogP3.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
5-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-3-carboxamide
CID 63999218
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
N-(3-bromo-4-methoxyphenyl)-3,5-dinitrobenzamide
CID 3548718
5-[(3-bromo-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 63998822
N-(4-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 2174953
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide (CID 110776808) is N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccncc2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is XTQJMOJXJNVGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-18-12-3-2-10(8-11(12)14)16-13(17)9-4-6-15-7-5-9/h2-8H,1H3,(H,16,17).
What are the key properties of N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide?
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 110776808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).