2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide

C13H21N3O2 — CID 79809690

IUPAC2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
SMILESCCOc1ncccc1NC(=O)C(N)(CC)CC
InChIInChI=1S/C13H21N3O2/c1-4-13(14,5-2)12(17)16-10-8-7-9-15-11(10)18-6-3/h7-9H,4-6,14H2,1-3H3,(H,16,17)
InChIKeyVCYZBKWEZABULD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.94
Rot. Bonds6

About 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide

2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide (PubChem CID 79809690) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
PubChem CID79809690
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
SMILESCCOc1ncccc1NC(=O)C(N)(CC)CC
InChIInChI=1S/C13H21N3O2/c1-4-13(14,5-2)12(17)16-10-8-7-9-15-11(10)18-6-3/h7-9H,4-6,14H2,1-3H3,(H,16,17)
InChIKeyVCYZBKWEZABULD-UHFFFAOYSA-N
XLogP1.94
TPSA77.24 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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 65467015
2-[2-(aminomethyl)phenyl]-N-(2-ethoxy-3-pyridinyl)acetamide
CID 81311348
2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
CID 43706630
2-amino-N-(2-ethoxy-3-pyridinyl)-2-phenylacetamide
CID 43706621
(2S)-2-amino-N-(2-ethoxy-3-pyridinyl)-4-methylpentanamide
CID 61178380
N-(2-ethoxy-3-pyridinyl)thiophene-3-carboxamide
CID 34879256
N-(2-ethoxy-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 79196186
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
(2E,4E)-N-(2-ethoxy-3-pyridinyl)hexa-2,4-dienamide
CID 34958124
2-ethoxy-3-(sulfamoylamino)pyridine
CID 112573255
4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210696

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide (CID 79809690) is 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide is CCOc1ncccc1NC(=O)C(N)(CC)CC.
What is the InChIKey of 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide?
The InChIKey is VCYZBKWEZABULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(14,5-2)12(17)16-10-8-7-9-15-11(10)18-6-3/h7-9H,4-6,14H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide?
2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide is sourced from PubChem (CID 79809690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).