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

C14H13BrN2O2 — CID 61061483

IUPAC5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O2/c1-2-19-13-5-3-4-12(7-13)17-14(18)10-6-11(15)9-16-8-10/h3-9H,2H2,1H3,(H,17,18)
InChIKeyKQUJTIHPWNPSCI-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.50
Rot. Bonds4

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

5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 61061483) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID61061483
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O2/c1-2-19-13-5-3-4-12(7-13)17-14(18)10-6-11(15)9-16-8-10/h3-9H,2H2,1H3,(H,17,18)
InChIKeyKQUJTIHPWNPSCI-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-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828
6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 66463087
5-bromo-N-(4-ethoxy-2-methylphenyl)pyridine-3-carboxamide
CID 47312097
5-hydroxy-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 63860104
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789
N-[3-(aminomethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 55168003
5-N-(2-ethoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108895
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide (CID 61061483) is 5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide is CCOc1cccc(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is KQUJTIHPWNPSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-2-19-13-5-3-4-12(7-13)17-14(18)10-6-11(15)9-16-8-10/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide?
5-bromo-N-(3-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-(3-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 61061483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).