2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide

C10H14ClN3O — CID 102824068

IUPAC2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-3-14(7-10(15)12-2)8-4-5-13-9(11)6-8/h4-6H,3,7H2,1-2H3,(H,12,15)
InChIKeyRHOPVCWBSXSUMJ-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.31
Rot. Bonds4

About 2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide

2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide (PubChem CID 102824068) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
PubChem CID102824068
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-3-14(7-10(15)12-2)8-4-5-13-9(11)6-8/h4-6H,3,7H2,1-2H3,(H,12,15)
InChIKeyRHOPVCWBSXSUMJ-UHFFFAOYSA-N
XLogP1.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.31
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-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide (CID 102824068) is 2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide?
The InChIKey is RHOPVCWBSXSUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-14(7-10(15)12-2)8-4-5-13-9(11)6-8/h4-6H,3,7H2,1-2H3,(H,12,15).
What are the key properties of 2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide?
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide has a molecular weight of 227.70 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 102824068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).