5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide

C14H10BrN3O2 — CID 104849115

IUPAC5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H10BrN3O2/c1-20-13-4-9(6-16)2-3-12(13)18-14(19)10-5-11(15)8-17-7-10/h2-5,7-8H,1H3,(H,18,19)
InChIKeyBWJUJYKJPYWCHX-UHFFFAOYSA-N
MW332.16 g/mol
LogP2.98
Rot. Bonds3

About 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide

5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 104849115) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID104849115
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H10BrN3O2/c1-20-13-4-9(6-16)2-3-12(13)18-14(19)10-5-11(15)8-17-7-10/h2-5,7-8H,1H3,(H,18,19)
InChIKeyBWJUJYKJPYWCHX-UHFFFAOYSA-N
XLogP2.98
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 60795117
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528
2-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104848994
N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 154780004

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide (CID 104849115) is 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide is COc1cc(C#N)ccc1NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is BWJUJYKJPYWCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-20-13-4-9(6-16)2-3-12(13)18-14(19)10-5-11(15)8-17-7-10/h2-5,7-8H,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide?
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 332.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 104849115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).