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

C14H13BrN2O2 — CID 66463087

IUPAC6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2ccc(Br)nc2)c1
InChIInChI=1S/C14H13BrN2O2/c1-2-19-12-5-3-4-11(8-12)17-14(18)10-6-7-13(15)16-9-10/h3-9H,2H2,1H3,(H,17,18)
InChIKeyXAQPNLBCRXYOGY-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.50
Rot. Bonds4

About 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide

6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 66463087) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID66463087
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2ccc(Br)nc2)c1
InChIInChI=1S/C14H13BrN2O2/c1-2-19-12-5-3-4-11(8-12)17-14(18)10-6-7-13(15)16-9-10/h3-9H,2H2,1H3,(H,17,18)
InChIKeyXAQPNLBCRXYOGY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483
6-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463307
6-bromo-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463651
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679
6-bromo-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 66462280
4-(chloromethyl)-N-(3-ethoxyphenyl)benzamide
CID 60933770
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-(3-ethoxyphenyl)-3-hydroxy-4-iodobenzamide
CID 104627784
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide (CID 66463087) is 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide is CCOc1cccc(NC(=O)c2ccc(Br)nc2)c1.
What is the InChIKey of 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is XAQPNLBCRXYOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-2-19-12-5-3-4-11(8-12)17-14(18)10-6-7-13(15)16-9-10/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide?
6-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 6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66463087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).