N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide

C13H21N3O2 — CID 114944097

IUPACN-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1cccc(NC)n1
InChIInChI=1S/C13H21N3O2/c1-5-18-13(2,3)9-15-12(17)10-7-6-8-11(14-4)16-10/h6-8H,5,9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyCPJHAFGWPISOLZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.67
Rot. Bonds6

About N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide

N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 114944097) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID114944097
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1cccc(NC)n1
InChIInChI=1S/C13H21N3O2/c1-5-18-13(2,3)9-15-12(17)10-7-6-8-11(14-4)16-10/h6-8H,5,9H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyCPJHAFGWPISOLZ-UHFFFAOYSA-N
XLogP1.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide (CID 114944097) is N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide is CCOC(C)(C)CNC(=O)c1cccc(NC)n1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is CPJHAFGWPISOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-18-13(2,3)9-15-12(17)10-7-6-8-11(14-4)16-10/h6-8H,5,9H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide?
N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114944097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).