(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide

C11H18N4O — CID 70212263

IUPAC(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ncccc1N
InChIInChI=1S/C11H18N4O/c1-11(2,3)8(13)10(16)15-9-7(12)5-4-6-14-9/h4-6,8H,12-13H2,1-3H3,(H,14,15,16)/t8-/m1/s1
InChIKeySMRGBQALIHXSFC-MRVPVSSYSA-N
MW222.29 g/mol
LogP0.98
Rot. Bonds2

About (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide (PubChem CID 70212263) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide
PubChem CID70212263
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ncccc1N
InChIInChI=1S/C11H18N4O/c1-11(2,3)8(13)10(16)15-9-7(12)5-4-6-14-9/h4-6,8H,12-13H2,1-3H3,(H,14,15,16)/t8-/m1/s1
InChIKeySMRGBQALIHXSFC-MRVPVSSYSA-N
XLogP0.98
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119844518
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 103930161
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
(2S)-2-amino-N-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylbutanamide
CID 61148025
(2S)-2-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 103630280
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
2-[(1S)-1-amino-2,2-dimethylpropyl]pyridin-3-amine
CID 131173099
2-[(3-amino-2-pyridinyl)amino]acetamide
CID 14390487
(2S)-2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 61154929
2-amino-3,3-dimethyl-N-pyrazin-2-ylbutanamide
CID 76893313
2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide (CID 70212263) is (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)Nc1ncccc1N.
What is the InChIKey of (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide?
The InChIKey is SMRGBQALIHXSFC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,3)8(13)10(16)15-9-7(12)5-4-6-14-9/h4-6,8H,12-13H2,1-3H3,(H,14,15,16)/t8-/m1/s1.
What are the key properties of (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-amino-2-pyridinyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 70212263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).