5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide

C14H13BrN2O2 — CID 835761

IUPAC5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-2-19-13-5-3-12(4-6-13)17-14(18)10-7-11(15)9-16-8-10/h3-9H,2H2,1H3,(H,17,18)
InChIKeyAYYQHMQNWHEBEP-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.50
Rot. Bonds4

About 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide

5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 835761) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID835761
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-2-19-13-5-3-12(4-6-13)17-14(18)10-7-11(15)9-16-8-10/h3-9H,2H2,1H3,(H,17,18)
InChIKeyAYYQHMQNWHEBEP-UHFFFAOYSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
5-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245293
3-N-(4-ethoxyphenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108480
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
5-N-(2,4-difluorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108941
5-(2,6-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109243188
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide (CID 835761) is 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is AYYQHMQNWHEBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-2-19-13-5-3-12(4-6-13)17-14(18)10-7-11(15)9-16-8-10/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 835761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).