N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide

C10H13ClN2O2 — CID 88953829

IUPACN-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1ccnc(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c1-15-7-10(14)13-5-3-8-2-4-12-9(11)6-8/h2,4,6H,3,5,7H2,1H3,(H,13,14)
InChIKeyDSUAIKSKNALHES-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.04
Rot. Bonds5

About N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide

N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide (PubChem CID 88953829) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide
PubChem CID88953829
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1ccnc(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c1-15-7-10(14)13-5-3-8-2-4-12-9(11)6-8/h2,4,6H,3,5,7H2,1H3,(H,13,14)
InChIKeyDSUAIKSKNALHES-UHFFFAOYSA-N
XLogP1.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.04
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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Related Compounds

N-[2-(furan-3-yl)ethyl]-2-methoxyacetamide
CID 90558235
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
dimethyl 2-[(2-chloro-4-pyridinyl)methyl]propanedioate
CID 103972406
N-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
methyl 4-[(2-chloro-4-pyridinyl)methyl-methylamino]butanoate
CID 62472398
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
CID 45051439

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide (CID 88953829) is N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide is COCC(=O)NCCc1ccnc(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide?
The InChIKey is DSUAIKSKNALHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-15-7-10(14)13-5-3-8-2-4-12-9(11)6-8/h2,4,6H,3,5,7H2,1H3,(H,13,14).
What are the key properties of N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide?
N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide has a molecular weight of 228.68 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-pyridinyl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 88953829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).