(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide

C13H21N3O2 — CID 113353541

IUPAC(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCCOc1ccc(NC(=O)[C@H](N)C(C)(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-5-18-10-7-6-9(8-15-10)16-12(17)11(14)13(2,3)4/h6-8,11H,5,14H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyMKKTWXUJODFDKN-NSHDSACASA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds4

About (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide (PubChem CID 113353541) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
PubChem CID113353541
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCCOc1ccc(NC(=O)[C@H](N)C(C)(C)C)cn1
InChIInChI=1S/C13H21N3O2/c1-5-18-10-7-6-9(8-15-10)16-12(17)11(14)13(2,3)4/h6-8,11H,5,14H2,1-4H3,(H,16,17)/t11-/m0/s1
InChIKeyMKKTWXUJODFDKN-NSHDSACASA-N
XLogP1.79
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
CID 107570145
(2R)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928749
2-amino-N-[6-(diethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76887277
(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
CID 103808708
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
CID 82852458
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
CID 81080925
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide (CID 113353541) is (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide is CCOc1ccc(NC(=O)[C@H](N)C(C)(C)C)cn1.
What is the InChIKey of (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide?
The InChIKey is MKKTWXUJODFDKN-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-18-10-7-6-9(8-15-10)16-12(17)11(14)13(2,3)4/h6-8,11H,5,14H2,1-4H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 113353541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).