(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride

C12H20ClN3O2 — CID 119723799

IUPAC(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1=O
InChIInChI=1S/C12H19N3O2.ClH/c1-12(2,3)10(13)11(17)14-8-5-6-9(16)15(4)7-8;/h5-7,10H,13H2,1-4H3,(H,14,17);1H/t10-;/m1./s1
InChIKeyQFUPUWIPPKUAIJ-HNCPQSOCSA-N
MW273.76 g/mol
LogP1.12
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride

(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride (PubChem CID 119723799) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride
PubChem CID119723799
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1=O
InChIInChI=1S/C12H19N3O2.ClH/c1-12(2,3)10(13)11(17)14-8-5-6-9(16)15(4)7-8;/h5-7,10H,13H2,1-4H3,(H,14,17);1H/t10-;/m1./s1
InChIKeyQFUPUWIPPKUAIJ-HNCPQSOCSA-N
XLogP1.12
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 61178866
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
CID 103929013
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 79024286
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
CID 107471479
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
CID 104984023
(2S)-2-amino-3,3-dimethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119704534
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride (CID 119723799) is (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride is Cl.Cn1cc(NC(=O)[C@@H](N)C(C)(C)C)ccc1=O.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride?
The InChIKey is QFUPUWIPPKUAIJ-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-12(2,3)10(13)11(17)14-8-5-6-9(16)15(4)7-8;/h5-7,10H,13H2,1-4H3,(H,14,17);1H/t10-;/m1./s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride?
(2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide;hydrochloride is sourced from PubChem (CID 119723799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).