N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

C17H15FIN3O5 — CID 24743899

IUPACN-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOC[C@H](O)CO)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1
InChIKeyMOKOPMFVODBALH-SNVBAGLBSA-N
MW487.23 g/mol
LogP2.33
Rot. Bonds7

About N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 24743899) has the molecular formula C17H15FIN3O5 and a molecular weight of 487.23 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
PubChem CID24743899
Molecular FormulaC17H15FIN3O5
Molecular Weight487.23 g/mol
Exact Mass487.00
IUPAC NameN-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NOC[C@H](O)CO)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1
InChIKeyMOKOPMFVODBALH-SNVBAGLBSA-N
XLogP2.33
TPSA116.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.23
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (CID 24743899) is N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is O=C(NOC[C@H](O)CO)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is MOKOPMFVODBALH-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 487.23 g/mol, XLogP of 2.33, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropoxy]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 24743899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).