N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide

C17H19BrN2O3 — CID 167847956

IUPACN-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1c[nH]c(=O)c(C(=O)N(C)CC(O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3/c1-3-11-8-14(16(22)19-9-11)17(23)20(2)10-15(21)12-4-6-13(18)7-5-12/h4-9,15,21H,3,10H2,1-2H3,(H,19,22)
InChIKeyGLGIRHOOHQEKLY-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 167847956) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID167847956
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC NameN-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1c[nH]c(=O)c(C(=O)N(C)CC(O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H19BrN2O3/c1-3-11-8-14(16(22)19-9-11)17(23)20(2)10-15(21)12-4-6-13(18)7-5-12/h4-9,15,21H,3,10H2,1-2H3,(H,19,22)
InChIKeyGLGIRHOOHQEKLY-UHFFFAOYSA-N
XLogP2.51
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 167847956) is N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide is CCc1c[nH]c(=O)c(C(=O)N(C)CC(O)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GLGIRHOOHQEKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-3-11-8-14(16(22)19-9-11)17(23)20(2)10-15(21)12-4-6-13(18)7-5-12/h4-9,15,21H,3,10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-hydroxyethyl]-5-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167847956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).