2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide

C12H17Cl2N3O — CID 116518920

IUPAC2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-8(2)5-17(7-12(15)18)6-9-4-16-11(14)3-10(9)13/h3-4,8H,5-7H2,1-2H3,(H2,15,18)
InChIKeyQUYRJFYGANKKSL-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.33
Rot. Bonds6

About 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide

2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 116518920) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID116518920
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cnc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N3O/c1-8(2)5-17(7-12(15)18)6-9-4-16-11(14)3-10(9)13/h3-4,8H,5-7H2,1-2H3,(H2,15,18)
InChIKeyQUYRJFYGANKKSL-UHFFFAOYSA-N
XLogP2.33
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
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 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide (CID 116518920) is 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1cnc(Cl)cc1Cl.
What is the InChIKey of 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is QUYRJFYGANKKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O/c1-8(2)5-17(7-12(15)18)6-9-4-16-11(14)3-10(9)13/h3-4,8H,5-7H2,1-2H3,(H2,15,18).
What are the key properties of 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide?
2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 290.19 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 116518920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).