N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide

C14H13BrN2O2 — CID 82707201

IUPACN-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C14H13BrN2O2/c1-9-5-6-11(15)12(8-9)17-13(18)10-4-3-7-16-14(10)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyKYCQTDUEQUWUCN-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.41
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide

N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide (PubChem CID 82707201) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
PubChem CID82707201
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc(C)ccc1Br
InChIInChI=1S/C14H13BrN2O2/c1-9-5-6-11(15)12(8-9)17-13(18)10-4-3-7-16-14(10)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyKYCQTDUEQUWUCN-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
2-ethoxy-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 7962641
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
CID 82706830
N-(3-acetamido-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 33241731
N-(2-bromo-5-methylphenyl)-2-hydrazinylbenzamide
CID 82758478
N-(2-bromo-4-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 107789815
3-bromo-N-(2-methoxy-3-pyridinyl)-4-methylbenzamide
CID 79467189
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
N-(4-bromo-2-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 82695069
3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 63112978
3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739652

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide (CID 82707201) is N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cc(C)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide?
The InChIKey is KYCQTDUEQUWUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-5-6-11(15)12(8-9)17-13(18)10-4-3-7-16-14(10)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide?
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 82707201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).