3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide

C15H15BrN2O2 — CID 13020127

IUPAC3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide
SMILESCNC(=O)CC(O)(c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H15BrN2O2/c1-17-14(19)9-15(20,12-3-2-8-18-10-12)11-4-6-13(16)7-5-11/h2-8,10,20H,9H2,1H3,(H,17,19)
InChIKeyZUDKZSRFXJTZFS-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.22
Rot. Bonds4

About 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide

3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide (PubChem CID 13020127) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide
PubChem CID13020127
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide
SMILESCNC(=O)CC(O)(c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H15BrN2O2/c1-17-14(19)9-15(20,12-3-2-8-18-10-12)11-4-6-13(16)7-5-11/h2-8,10,20H,9H2,1H3,(H,17,19)
InChIKeyZUDKZSRFXJTZFS-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide?
The IUPAC name of 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide (CID 13020127) is 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide is CNC(=O)CC(O)(c1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide?
The InChIKey is ZUDKZSRFXJTZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-17-14(19)9-15(20,12-3-2-8-18-10-12)11-4-6-13(16)7-5-11/h2-8,10,20H,9H2,1H3,(H,17,19).
What are the key properties of 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide?
3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide has a molecular weight of 335.20 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-hydroxy-N-methyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 13020127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).