N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide

C10H11IN2O2 — CID 154956779

IUPACN-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOc1ccc(I)cn1
InChIInChI=1S/C10H11IN2O2/c1-2-9(14)12-5-6-15-10-4-3-8(11)7-13-10/h2-4,7H,1,5-6H2,(H,12,14)
InChIKeyPAHLBRIRMLLYQJ-UHFFFAOYSA-N
MW318.11 g/mol
LogP1.37
Rot. Bonds5

About N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide

N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide (PubChem CID 154956779) has the molecular formula C10H11IN2O2 and a molecular weight of 318.11 g/mol. Its IUPAC name is N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide
PubChem CID154956779
Molecular FormulaC10H11IN2O2
Molecular Weight318.11 g/mol
Exact Mass317.99
IUPAC NameN-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOc1ccc(I)cn1
InChIInChI=1S/C10H11IN2O2/c1-2-9(14)12-5-6-15-10-4-3-8(11)7-13-10/h2-4,7H,1,5-6H2,(H,12,14)
InChIKeyPAHLBRIRMLLYQJ-UHFFFAOYSA-N
XLogP1.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide
CID 134530877
7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide
CID 159539505
2-[(5-iodo-2-pyridinyl)oxy]ethanamine
CID 134519401
2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol
CID 56849565
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
N-[2-(7H-purin-6-yloxy)ethyl]prop-2-enamide
CID 20703019
N-[2-(4-nonylphenoxy)ethyl]prop-2-enamide
CID 134245011
ethyl (E)-4-[2-[(5-iodo-2-pyridinyl)oxy]ethyl-methylamino]but-2-enoate
CID 154956611
7-amino-N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]heptanamide;dihydrochloride
CID 119900741
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2,6-difluorobenzamide
CID 129392827

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide (CID 154956779) is N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide is C=CC(=O)NCCOc1ccc(I)cn1.
What is the InChIKey of N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide?
The InChIKey is PAHLBRIRMLLYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O2/c1-2-9(14)12-5-6-15-10-4-3-8(11)7-13-10/h2-4,7H,1,5-6H2,(H,12,14).
What are the key properties of N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide?
N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide has a molecular weight of 318.11 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide is sourced from PubChem (CID 154956779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).