3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide

C17H14F2IN3O4 — CID 88885981

IUPAC3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOCCCO)c1oc2ccncc2c1Nc1cc(F)c(I)cc1F
InChIInChI=1S/C17H14F2IN3O4/c18-10-7-13(11(19)6-12(10)20)22-15-9-8-21-3-2-14(9)27-16(15)17(25)23-26-5-1-4-24/h2-3,6-8,22,24H,1,4-5H2,(H,23,25)
InChIKeySNXWEEWOEVSEFQ-UHFFFAOYSA-N
MW489.22 g/mol
LogP3.50
Rot. Bonds7

About 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide

3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 88885981) has the molecular formula C17H14F2IN3O4 and a molecular weight of 489.22 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
PubChem CID88885981
Molecular FormulaC17H14F2IN3O4
Molecular Weight489.22 g/mol
Exact Mass489.00
IUPAC Name3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOCCCO)c1oc2ccncc2c1Nc1cc(F)c(I)cc1F
InChIInChI=1S/C17H14F2IN3O4/c18-10-7-13(11(19)6-12(10)20)22-15-9-8-21-3-2-14(9)27-16(15)17(25)23-26-5-1-4-24/h2-3,6-8,22,24H,1,4-5H2,(H,23,25)
InChIKeySNXWEEWOEVSEFQ-UHFFFAOYSA-N
XLogP3.50
TPSA96.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.22
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide (CID 88885981) is 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide is O=C(NOCCCO)c1oc2ccncc2c1Nc1cc(F)c(I)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is SNXWEEWOEVSEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2IN3O4/c18-10-7-13(11(19)6-12(10)20)22-15-9-8-21-3-2-14(9)27-16(15)17(25)23-26-5-1-4-24/h2-3,6-8,22,24H,1,4-5H2,(H,23,25).
What are the key properties of 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide?
3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 489.22 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 88885981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).