3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride

C9H13Cl2N3O — CID 130718445

IUPAC3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride
SMILESCc1cc(C(N)CC(N)=O)cc(Cl)n1.Cl
InChIInChI=1S/C9H12ClN3O.ClH/c1-5-2-6(3-8(10)13-5)7(11)4-9(12)14;/h2-3,7H,4,11H2,1H3,(H2,12,14);1H
InChIKeyDODRSJRHGODUMY-UHFFFAOYSA-N
MW250.13 g/mol
LogP1.34
Rot. Bonds3

About 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride

3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride (PubChem CID 130718445) has the molecular formula C9H13Cl2N3O and a molecular weight of 250.13 g/mol. Its IUPAC name is 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride
PubChem CID130718445
Molecular FormulaC9H13Cl2N3O
Molecular Weight250.13 g/mol
Exact Mass249.04
IUPAC Name3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride
SMILESCc1cc(C(N)CC(N)=O)cc(Cl)n1.Cl
InChIInChI=1S/C9H12ClN3O.ClH/c1-5-2-6(3-8(10)13-5)7(11)4-9(12)14;/h2-3,7H,4,11H2,1H3,(H2,12,14);1H
InChIKeyDODRSJRHGODUMY-UHFFFAOYSA-N
XLogP1.34
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride (CID 130718445) is 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride is Cc1cc(C(N)CC(N)=O)cc(Cl)n1.Cl.
What is the InChIKey of 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride?
The InChIKey is DODRSJRHGODUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O.ClH/c1-5-2-6(3-8(10)13-5)7(11)4-9(12)14;/h2-3,7H,4,11H2,1H3,(H2,12,14);1H.
What are the key properties of 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride?
3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride has a molecular weight of 250.13 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-chloro-6-methyl-4-pyridinyl)propanamide;hydrochloride is sourced from PubChem (CID 130718445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).