3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide

C18H17FIN3O3 — CID 59704658

IUPAC3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
SMILESCN(CCCO)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C18H17FIN3O3/c1-23(7-2-8-24)18(25)17-16(12-10-21-6-5-15(12)26-17)22-14-4-3-11(20)9-13(14)19/h3-6,9-10,22,24H,2,7-8H2,1H3
InChIKeyUCLIECUVCQUGMI-UHFFFAOYSA-N
MW469.25 g/mol
LogP3.77
Rot. Bonds6

About 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide (PubChem CID 59704658) has the molecular formula C18H17FIN3O3 and a molecular weight of 469.25 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
PubChem CID59704658
Molecular FormulaC18H17FIN3O3
Molecular Weight469.25 g/mol
Exact Mass469.03
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
SMILESCN(CCCO)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C18H17FIN3O3/c1-23(7-2-8-24)18(25)17-16(12-10-21-6-5-15(12)26-17)22-14-4-3-11(20)9-13(14)19/h3-6,9-10,22,24H,2,7-8H2,1H3
InChIKeyUCLIECUVCQUGMI-UHFFFAOYSA-N
XLogP3.77
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.25
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(azetidin-3-yloxy)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 25013799
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
3-(4-ethynyl-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxamide;propane-1,3-diol
CID 143636140
3-(2,5-difluoro-4-iodoanilino)-N-(3-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 88885981
3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 69035529
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
3-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide
CID 25013474
3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 151410687
ethyl 3-(2-fluoro-4-iodoanilino)-4-methylfuro[3,2-c]pyridine-2-carboxylate
CID 59704736
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide (CID 59704658) is 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide is CN(CCCO)C(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
The InChIKey is UCLIECUVCQUGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FIN3O3/c1-23(7-2-8-24)18(25)17-16(12-10-21-6-5-15(12)26-17)22-14-4-3-11(20)9-13(14)19/h3-6,9-10,22,24H,2,7-8H2,1H3.
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide has a molecular weight of 469.25 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 59704658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).