(2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide

C8H9Cl2N3O — CID 118608605

IUPAC(2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1cnc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N3O/c1-4(11)8(14)13-6-3-12-7(10)2-5(6)9/h2-4H,11H2,1H3,(H,13,14)/t4-/m1/s1
InChIKeyGVBQDTKLAQONCL-SCSAIBSYSA-N
MW234.09 g/mol
LogP1.67
Rot. Bonds2

About (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide

(2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide (PubChem CID 118608605) has the molecular formula C8H9Cl2N3O and a molecular weight of 234.09 g/mol. Its IUPAC name is (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide
PubChem CID118608605
Molecular FormulaC8H9Cl2N3O
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name(2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide
SMILESC[C@@H](N)C(=O)Nc1cnc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N3O/c1-4(11)8(14)13-6-3-12-7(10)2-5(6)9/h2-4H,11H2,1H3,(H,13,14)/t4-/m1/s1
InChIKeyGVBQDTKLAQONCL-SCSAIBSYSA-N
XLogP1.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4,6-dichloro-3-pyridinyl)butanamide
CID 86089298
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
CID 130498897
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide
CID 112735488
N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide
CID 114256408
5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide
CID 130727934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide (CID 118608605) is (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide is C[C@@H](N)C(=O)Nc1cnc(Cl)cc1Cl.
What is the InChIKey of (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide?
The InChIKey is GVBQDTKLAQONCL-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O/c1-4(11)8(14)13-6-3-12-7(10)2-5(6)9/h2-4H,11H2,1H3,(H,13,14)/t4-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide?
(2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide has a molecular weight of 234.09 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4,6-dichloro-3-pyridinyl)propanamide is sourced from PubChem (CID 118608605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).