4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide

C12H18IN3O2 — CID 134530877

IUPAC4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNCCOc1ccc(I)cn1
InChIInChI=1S/C12H18IN3O2/c1-14-11(17)3-2-6-15-7-8-18-12-5-4-10(13)9-16-12/h4-5,9,15H,2-3,6-8H2,1H3,(H,14,17)
InChIKeySTJXCPZYBJNPPQ-UHFFFAOYSA-N
MW363.20 g/mol
LogP1.18
Rot. Bonds8

About 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide

4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide (PubChem CID 134530877) has the molecular formula C12H18IN3O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide
PubChem CID134530877
Molecular FormulaC12H18IN3O2
Molecular Weight363.20 g/mol
Exact Mass363.04
IUPAC Name4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNCCOc1ccc(I)cn1
InChIInChI=1S/C12H18IN3O2/c1-14-11(17)3-2-6-15-7-8-18-12-5-4-10(13)9-16-12/h4-5,9,15H,2-3,6-8H2,1H3,(H,14,17)
InChIKeySTJXCPZYBJNPPQ-UHFFFAOYSA-N
XLogP1.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide
CID 159539505
N-[2-[(5-iodo-2-pyridinyl)oxy]ethyl]prop-2-enamide
CID 154956779
4-(4-iodoanilino)-N-methylbutanamide
CID 63891617
N-methyl-4-[2-[[5-[(Z)-4,4,4-trifluoro-1-(1H-indol-5-yl)-2-phenylbut-1-enyl]-2-pyridinyl]oxy]ethylamino]butanamide
CID 146225468
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
CID 54924715
2-[2-[2-[(5-iodo-2-pyridinyl)oxy]ethoxy]ethoxy]ethanol
CID 56849565
N-methyl-5-(2-propan-2-yloxyethylamino)pentanamide
CID 146243882
4-(2-butoxyethylamino)-N-methylbutanamide
CID 63891192
2-[(5-iodo-2-pyridinyl)oxy]ethanamine
CID 134519401
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
4-[3-(benzylamino)propoxy]-N-methylbutanamide
CID 114782847

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide?
The IUPAC name of 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide (CID 134530877) is 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide?
The canonical SMILES for 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide is CNC(=O)CCCNCCOc1ccc(I)cn1.
What is the InChIKey of 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide?
The InChIKey is STJXCPZYBJNPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O2/c1-14-11(17)3-2-6-15-7-8-18-12-5-4-10(13)9-16-12/h4-5,9,15H,2-3,6-8H2,1H3,(H,14,17).
What are the key properties of 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide?
4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide has a molecular weight of 363.20 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-iodo-2-pyridinyl)oxy]ethylamino]-N-methylbutanamide is sourced from PubChem (CID 134530877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).