2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide

C16H17BrN2O2 — CID 166404882

IUPAC2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide
SMILESCCOc1ccc(N(CC)C(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-19(13-5-7-14(8-6-13)21-4-2)16(20)12-9-10-18-15(17)11-12/h5-11H,3-4H2,1-2H3
InChIKeyZCPHNQMACLUHLQ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.91
Rot. Bonds5

About 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide

2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide (PubChem CID 166404882) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide
PubChem CID166404882
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide
SMILESCCOc1ccc(N(CC)C(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O2/c1-3-19(13-5-7-14(8-6-13)21-4-2)16(20)12-9-10-18-15(17)11-12/h5-11H,3-4H2,1-2H3
InChIKeyZCPHNQMACLUHLQ-UHFFFAOYSA-N
XLogP3.91
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-4-carboxamide
CID 109176932
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
2-chloro-N-ethyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 113236093
2-bromo-N-butyl-N-ethylpyridine-4-carboxamide
CID 103751876
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
3-[(4-ethoxybenzoyl)amino]-N-ethyl-N-phenylbenzamide
CID 17221972
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
6-bromo-N-ethyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 66463938
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
CID 81094810
2-N-(2-ethoxyphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092343
6-(4-ethoxyanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109162941

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide (CID 166404882) is 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide is CCOc1ccc(N(CC)C(=O)c2ccnc(Br)c2)cc1.
What is the InChIKey of 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide?
The InChIKey is ZCPHNQMACLUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-19(13-5-7-14(8-6-13)21-4-2)16(20)12-9-10-18-15(17)11-12/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide?
2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethoxyphenyl)-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 166404882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).