(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide

C12H19N3O — CID 103930161

IUPAC(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
SMILESCc1cc(NC(=O)[C@H](N)C(C)(C)C)ccn1
InChIInChI=1S/C12H19N3O/c1-8-7-9(5-6-14-8)15-11(16)10(13)12(2,3)4/h5-7,10H,13H2,1-4H3,(H,14,15,16)/t10-/m0/s1
InChIKeyAFQJMNZGODBTDX-JTQLQIEISA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide (PubChem CID 103930161) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
PubChem CID103930161
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
SMILESCc1cc(NC(=O)[C@H](N)C(C)(C)C)ccn1
InChIInChI=1S/C12H19N3O/c1-8-7-9(5-6-14-8)15-11(16)10(13)12(2,3)4/h5-7,10H,13H2,1-4H3,(H,14,15,16)/t10-/m0/s1
InChIKeyAFQJMNZGODBTDX-JTQLQIEISA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 103929010
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380
3-amino-2,2,3-trimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 79240943
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
CID 61148025
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide (CID 103930161) is (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide is Cc1cc(NC(=O)[C@H](N)C(C)(C)C)ccn1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide?
The InChIKey is AFQJMNZGODBTDX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-7-9(5-6-14-8)15-11(16)10(13)12(2,3)4/h5-7,10H,13H2,1-4H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide is sourced from PubChem (CID 103930161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).