(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide

C13H21N3O2 — CID 103929013

IUPAC(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCCn1cc(NC(=O)[C@H](N)C(C)(C)C)ccc1=O
InChIInChI=1S/C13H21N3O2/c1-5-16-8-9(6-7-10(16)17)15-12(18)11(14)13(2,3)4/h6-8,11H,5,14H2,1-4H3,(H,15,18)/t11-/m0/s1
InChIKeyWLGABITVHOZYLQ-NSHDSACASA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds3

About (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide (PubChem CID 103929013) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
PubChem CID103929013
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
SMILESCCn1cc(NC(=O)[C@H](N)C(C)(C)C)ccc1=O
InChIInChI=1S/C13H21N3O2/c1-5-16-8-9(6-7-10(16)17)15-12(18)11(14)13(2,3)4/h6-8,11H,5,14H2,1-4H3,(H,15,18)/t11-/m0/s1
InChIKeyWLGABITVHOZYLQ-NSHDSACASA-N
XLogP1.18
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 61178866
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride
CID 119723799
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide
CID 61172675
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)hexanamide
CID 54862552
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-phenylpropanamide
CID 78984653
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
CID 119723753
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide (CID 103929013) is (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide is CCn1cc(NC(=O)[C@H](N)C(C)(C)C)ccc1=O.
What is the InChIKey of (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide?
The InChIKey is WLGABITVHOZYLQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-16-8-9(6-7-10(16)17)15-12(18)11(14)13(2,3)4/h6-8,11H,5,14H2,1-4H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 103929013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).