N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide

C12H13IN2O3 — CID 127042791

IUPACN-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc2oc(I)c(CCNC(C)=O)c2n1
InChIInChI=1S/C12H13IN2O3/c1-7(16)14-6-5-8-11-9(18-12(8)13)3-4-10(15-11)17-2/h3-4H,5-6H2,1-2H3,(H,14,16)
InChIKeyNWBKUGRLWVNDFE-UHFFFAOYSA-N
MW360.15 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide

N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 127042791) has the molecular formula C12H13IN2O3 and a molecular weight of 360.15 g/mol. Its IUPAC name is N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
PubChem CID127042791
Molecular FormulaC12H13IN2O3
Molecular Weight360.15 g/mol
Exact Mass360.00
IUPAC NameN-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1ccc2oc(I)c(CCNC(C)=O)c2n1
InChIInChI=1S/C12H13IN2O3/c1-7(16)14-6-5-8-11-9(18-12(8)13)3-4-10(15-11)17-2/h3-4H,5-6H2,1-2H3,(H,14,16)
InChIKeyNWBKUGRLWVNDFE-UHFFFAOYSA-N
XLogP2.12
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-methoxy-2-naphthalen-2-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127040021
N-[2-(5-methoxy-2-phenylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127042142
N-[2-[2-(4-fluorophenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
CID 127042442
N-[3-(2-Dimethylamino-ethyl)-2-methyl-furo[3,2-b]pyridin-5-yl]-4-fluoro-benzamide
CID 10991464
N-([1]benzofuro[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
CID 11709518
N-[2-(5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 19703015
N-(2-methoxyethyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 9550573
N-[2-[2-(2,6-dimethylphenyl)-5-methoxyfuro[3,2-b]pyridin-3-yl]ethyl]acetamide
CID 127038225
N-[2-(5-methoxy-2-naphthalen-1-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127039212
N-[2-(2-anthracen-9-yl-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127040022
N-[2-(5-methoxy-2-phenanthren-9-ylfuro[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 127040355
2-amino-N-[3-[(5-methyl-[1]benzofuro[3,2-b]quinolin-5-ium-11-yl)amino]-2-oxopropyl]acetamide
CID 168286693

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide (CID 127042791) is N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide is COc1ccc2oc(I)c(CCNC(C)=O)c2n1.
What is the InChIKey of N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is NWBKUGRLWVNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O3/c1-7(16)14-6-5-8-11-9(18-12(8)13)3-4-10(15-11)17-2/h3-4H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide?
N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 360.15 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-iodo-5-methoxyfuro[3,2-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 127042791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).