5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C15H15BrN2O4 — CID 1267701

IUPAC5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(Br)c2)cc(OC)c1OC
InChIInChI=1S/C15H15BrN2O4/c1-20-12-5-11(6-13(21-2)14(12)22-3)18-15(19)9-4-10(16)8-17-7-9/h4-8H,1-3H3,(H,18,19)
InChIKeyMELFSZUGGCYUBT-UHFFFAOYSA-N
MW367.20 g/mol
LogP3.12
Rot. Bonds5

About 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 1267701) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID1267701
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Name5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(Br)c2)cc(OC)c1OC
InChIInChI=1S/C15H15BrN2O4/c1-20-12-5-11(6-13(21-2)14(12)22-3)18-15(19)9-4-10(16)8-17-7-9/h4-8H,1-3H3,(H,18,19)
InChIKeyMELFSZUGGCYUBT-UHFFFAOYSA-N
XLogP3.12
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-bromopyridine-3-carboxylate
CID 2605916
5-(propan-2-ylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109223529
5-(dipropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109241100
3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 110426879
5-bromo-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17163361
5-(pyrrolidine-1-carbonyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109102640
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
5-bromo-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 731484
5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
CID 9106525
5-bromo-N-(3,4,5-trimethoxyphenyl)thiophene-3-carboxamide
CID 43424437
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 1267701) is 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cncc(Br)c2)cc(OC)c1OC.
What is the InChIKey of 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is MELFSZUGGCYUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c1-20-12-5-11(6-13(21-2)14(12)22-3)18-15(19)9-4-10(16)8-17-7-9/h4-8H,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 367.20 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1267701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).