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

C14H21ClN2O3 — CID 111596458

IUPAC5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)N(CC)CC(C)(C)O)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-5-17(9-14(3,4)19)13(18)10-7-11(15)12(16-8-10)20-6-2/h7-8,19H,5-6,9H2,1-4H3
InChIKeyAUVKIELLHZJEQG-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.37
Rot. Bonds6

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

5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide (PubChem CID 111596458) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
PubChem CID111596458
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
SMILESCCOc1ncc(C(=O)N(CC)CC(C)(C)O)cc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-5-17(9-14(3,4)19)13(18)10-7-11(15)12(16-8-10)20-6-2/h7-8,19H,5-6,9H2,1-4H3
InChIKeyAUVKIELLHZJEQG-UHFFFAOYSA-N
XLogP2.37
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.37
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-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide (CID 111596458) is 5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide is CCOc1ncc(C(=O)N(CC)CC(C)(C)O)cc1Cl.
What is the InChIKey of 5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is AUVKIELLHZJEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-5-17(9-14(3,4)19)13(18)10-7-11(15)12(16-8-10)20-6-2/h7-8,19H,5-6,9H2,1-4H3.
What are the key properties of 5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide?
5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 2.37, 6 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-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 111596458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).