(2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide

C8H12N4O — CID 91826683

IUPAC(2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(N)n1
InChIInChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/t5-/m0/s1
InChIKeyLRIKRUHIPRIMEM-YFKPBYRVSA-N
MW180.21 g/mol
LogP-0.05
Rot. Bonds2

About (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide

(2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide (PubChem CID 91826683) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide
PubChem CID91826683
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name(2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(N)n1
InChIInChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/t5-/m0/s1
InChIKeyLRIKRUHIPRIMEM-YFKPBYRVSA-N
XLogP-0.05
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide (CID 91826683) is (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide is C[C@H](N)C(=O)Nc1cccc(N)n1.
What is the InChIKey of (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide?
The InChIKey is LRIKRUHIPRIMEM-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide?
(2S)-2-amino-N-(6-amino-2-pyridinyl)propanamide has a molecular weight of 180.21 g/mol, XLogP of -0.05, 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-(6-amino-2-pyridinyl)propanamide is sourced from PubChem (CID 91826683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).