2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide

C9H12ClN3O — CID 58786284

IUPAC2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cccc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-13(6-9(11)14)5-7-3-2-4-8(10)12-7/h2-4H,5-6H2,1H3,(H2,11,14)
InChIKeyXJRCTHOADBAPAH-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.65
Rot. Bonds4

About 2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide

2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide (PubChem CID 58786284) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide
PubChem CID58786284
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cccc(Cl)n1
InChIInChI=1S/C9H12ClN3O/c1-13(6-9(11)14)5-7-3-2-4-8(10)12-7/h2-4H,5-6H2,1H3,(H2,11,14)
InChIKeyXJRCTHOADBAPAH-UHFFFAOYSA-N
XLogP0.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.65
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-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide (CID 58786284) is 2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide is CN(CC(N)=O)Cc1cccc(Cl)n1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide?
The InChIKey is XJRCTHOADBAPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-13(6-9(11)14)5-7-3-2-4-8(10)12-7/h2-4H,5-6H2,1H3,(H2,11,14).
What are the key properties of 2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide?
2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide has a molecular weight of 213.67 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)methyl-methylamino]acetamide is sourced from PubChem (CID 58786284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).