4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide

C14H13BrN2O2 — CID 63214382

IUPAC4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Br)cc2C)ccn1
InChIInChI=1S/C14H13BrN2O2/c1-9-7-10(15)3-4-13(9)19-11-5-6-17-12(8-11)14(18)16-2/h3-8H,1-2H3,(H,16,18)
InChIKeyWKUUAJNLPLEZKG-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.30
Rot. Bonds3

About 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide

4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide (PubChem CID 63214382) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide
PubChem CID63214382
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(Br)cc2C)ccn1
InChIInChI=1S/C14H13BrN2O2/c1-9-7-10(15)3-4-13(9)19-11-5-6-17-12(8-11)14(18)16-2/h3-8H,1-2H3,(H,16,18)
InChIKeyWKUUAJNLPLEZKG-UHFFFAOYSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide (CID 63214382) is 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(Br)cc2C)ccn1.
What is the InChIKey of 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide?
The InChIKey is WKUUAJNLPLEZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-7-10(15)3-4-13(9)19-11-5-6-17-12(8-11)14(18)16-2/h3-8H,1-2H3,(H,16,18).
What are the key properties of 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide?
4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-methylphenoxy)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63214382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).