(2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide

C12H20N4O — CID 119867897

IUPAC(2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)Cc1cnccn1
InChIInChI=1S/C12H20N4O/c1-9(2)6-11(13)12(17)16(3)8-10-7-14-4-5-15-10/h4-5,7,9,11H,6,8,13H2,1-3H3/t11-/m0/s1
InChIKeyJCKYKIWBMZIJLL-NSHDSACASA-N
MW236.32 g/mol
LogP0.81
Rot. Bonds5

About (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide

(2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide (PubChem CID 119867897) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide
PubChem CID119867897
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)Cc1cnccn1
InChIInChI=1S/C12H20N4O/c1-9(2)6-11(13)12(17)16(3)8-10-7-14-4-5-15-10/h4-5,7,9,11H,6,8,13H2,1-3H3/t11-/m0/s1
InChIKeyJCKYKIWBMZIJLL-NSHDSACASA-N
XLogP0.81
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(5-ethyl-2-pyridinyl)methyl]-N,4-dimethylpentanamide
CID 56873625
2-amino-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 54872501
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
2-amino-N-cyclopropyl-3-methyl-N-(pyrazin-2-ylmethyl)butanamide
CID 77144597
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
N-ethyl-N-methyl-2-(pyrazin-2-ylmethylamino)propanamide
CID 103107971
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
1-[methyl(pyrazin-2-ylmethyl)amino]propan-2-ol
CID 62333203
1-methyl-1-(pyrazin-2-ylmethyl)hydrazine
CID 169495103
2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
CID 60936758
2-amino-N-[(4-fluorophenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 71756991
(2S)-2-amino-N,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide;hydrochloride
CID 154752113

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide (CID 119867897) is (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide is CC(C)C[C@H](N)C(=O)N(C)Cc1cnccn1.
What is the InChIKey of (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide?
The InChIKey is JCKYKIWBMZIJLL-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)6-11(13)12(17)16(3)8-10-7-14-4-5-15-10/h4-5,7,9,11H,6,8,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide?
(2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide has a molecular weight of 236.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide is sourced from PubChem (CID 119867897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).