5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide

C13H19ClN2O3 — CID 111663052

IUPAC5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)N(C)CC(C)(C)O)cc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-5-19-11-10(14)6-9(7-15-11)12(17)16(4)8-13(2,3)18/h6-7,18H,5,8H2,1-4H3
InChIKeyMYIPRVTYBDYGSW-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.98
Rot. Bonds5

About 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide

5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide (PubChem CID 111663052) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
PubChem CID111663052
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)N(C)CC(C)(C)O)cc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-5-19-11-10(14)6-9(7-15-11)12(17)16(4)8-13(2,3)18/h6-7,18H,5,8H2,1-4H3
InChIKeyMYIPRVTYBDYGSW-UHFFFAOYSA-N
XLogP1.98
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide (CID 111663052) is 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide is CCOc1ncc(C(=O)N(C)CC(C)(C)O)cc1Cl.
What is the InChIKey of 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
The InChIKey is MYIPRVTYBDYGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-5-19-11-10(14)6-9(7-15-11)12(17)16(4)8-13(2,3)18/h6-7,18H,5,8H2,1-4H3.
What are the key properties of 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 111663052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).