(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride

C12H21Cl2N3O — CID 119844518

IUPAC(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride
SMILESCc1ncccc1NC(=O)[C@@H](N)C(C)(C)C.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-8-9(6-5-7-14-8)15-11(16)10(13)12(2,3)4;;/h5-7,10H,13H2,1-4H3,(H,15,16);2*1H/t10-;;/m1../s1
InChIKeyNQPQTCMXAGHOAG-YQFADDPSSA-N
MW294.23 g/mol
LogP2.55
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride

(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride (PubChem CID 119844518) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride
PubChem CID119844518
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride
SMILESCc1ncccc1NC(=O)[C@@H](N)C(C)(C)C.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-8-9(6-5-7-14-8)15-11(16)10(13)12(2,3)4;;/h5-7,10H,13H2,1-4H3,(H,15,16);2*1H/t10-;;/m1../s1
InChIKeyNQPQTCMXAGHOAG-YQFADDPSSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide
CID 70212263
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
4-amino-5-[(2-methyl-3-pyridinyl)amino]-5-oxopentanoic acid
CID 79043536
(2S)-2-amino-N-(2-methyl-3-pyridinyl)-3-phenylpropanamide
CID 54173969
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043382
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride (CID 119844518) is (2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride is Cc1ncccc1NC(=O)[C@@H](N)C(C)(C)C.Cl.Cl.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride?
The InChIKey is NQPQTCMXAGHOAG-YQFADDPSSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-8-9(6-5-7-14-8)15-11(16)10(13)12(2,3)4;;/h5-7,10H,13H2,1-4H3,(H,15,16);2*1H/t10-;;/m1../s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride?
(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 2.55, 2 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-(2-methyl-3-pyridinyl)butanamide;dihydrochloride is sourced from PubChem (CID 119844518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).