(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide

C11H18N4O — CID 129379444

IUPAC(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide
SMILESC[C@@H](Nc1cnccn1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N4O/c1-8(10(16)15-11(2,3)4)14-9-7-12-5-6-13-9/h5-8H,1-4H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyHYSDSVZZNLKUTH-MRVPVSSYSA-N
MW222.29 g/mol
LogP1.19
Rot. Bonds3

About (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide

(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide (PubChem CID 129379444) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide
PubChem CID129379444
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide
SMILESC[C@@H](Nc1cnccn1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N4O/c1-8(10(16)15-11(2,3)4)14-9-7-12-5-6-13-9/h5-8H,1-4H3,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyHYSDSVZZNLKUTH-MRVPVSSYSA-N
XLogP1.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide (CID 129379444) is (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide is C[C@@H](Nc1cnccn1)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide?
The InChIKey is HYSDSVZZNLKUTH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(10(16)15-11(2,3)4)14-9-7-12-5-6-13-9/h5-8H,1-4H3,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide?
(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide is sourced from PubChem (CID 129379444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).