N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide

C13H11BrN2O — CID 771963

IUPACN-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)ccc1Br
InChIInChI=1S/C13H11BrN2O/c1-9-7-11(4-5-12(9)14)16-13(17)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,17)
InChIKeyGGWVAZOUTCDWFT-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.40
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide

N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide (PubChem CID 771963) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
PubChem CID771963
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC NameN-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)ccc1Br
InChIInChI=1S/C13H11BrN2O/c1-9-7-11(4-5-12(9)14)16-13(17)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,17)
InChIKeyGGWVAZOUTCDWFT-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide (CID 771963) is N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is GGWVAZOUTCDWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-7-11(4-5-12(9)14)16-13(17)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,17).
What are the key properties of N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide?
N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 291.15 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 771963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).