(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide

C12H19N3O — CID 61148496

IUPAC(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccncc1
InChIInChI=1S/C12H19N3O/c1-12(2,3)10(13)11(16)15-8-9-4-6-14-7-5-9/h4-7,10H,8,13H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyFBXGQKMHBRWBBX-SNVBAGLBSA-N
MW221.30 g/mol
LogP1.07
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 61148496) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
PubChem CID61148496
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCc1ccncc1
InChIInChI=1S/C12H19N3O/c1-12(2,3)10(13)11(16)15-8-9-4-6-14-7-5-9/h4-7,10H,8,13H2,1-3H3,(H,15,16)/t10-/m1/s1
InChIKeyFBXGQKMHBRWBBX-SNVBAGLBSA-N
XLogP1.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864759
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
2-amino-5,5-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)hexanamide
CID 143591085
(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 61148344
methyl 4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 61274721
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2S)-2-amino-N-[[4-(ethoxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 119718278
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
(2S)-2,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide;ethane;molecular hydrogen
CID 143277001
(2R)-2-amino-3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 106390787
3-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]benzoic acid
CID 76894229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide (CID 61148496) is (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide is CC(C)(C)[C@H](N)C(=O)NCc1ccncc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is FBXGQKMHBRWBBX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)10(13)11(16)15-8-9-4-6-14-7-5-9/h4-7,10H,8,13H2,1-3H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 61148496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).