3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

C14H10IN3O2 — CID 154558318

IUPAC3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1
InChIInChI=1S/C14H10IN3O2/c15-8-1-3-9(4-2-8)18-12-10-7-17-6-5-11(10)20-13(12)14(16)19/h1-7,18H,(H2,16,19)
InChIKeyCIYSXAQKWHGSJK-UHFFFAOYSA-N
MW379.16 g/mol
LogP3.27
Rot. Bonds3

About 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 154558318) has the molecular formula C14H10IN3O2 and a molecular weight of 379.16 g/mol. Its IUPAC name is 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
PubChem CID154558318
Molecular FormulaC14H10IN3O2
Molecular Weight379.16 g/mol
Exact Mass378.98
IUPAC Name3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1
InChIInChI=1S/C14H10IN3O2/c15-8-1-3-9(4-2-8)18-12-10-7-17-6-5-11(10)20-13(12)14(16)19/h1-7,18H,(H2,16,19)
InChIKeyCIYSXAQKWHGSJK-UHFFFAOYSA-N
XLogP3.27
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.16
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxamide
CID 143636123
ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636254
3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 69035529
CID 162504415
CID 162504415
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
3-(4-ethynyl-2-fluoroanilino)furo[3,2-c]pyridine-2-carboxamide;propane-1,3-diol
CID 143636140
furo[3,4-c]pyridine-1,3-dicarboxamide
CID 119091169
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
3-[(7-chloro-1H-indazol-4-yl)amino]furo[2,3-c]pyridine-2-carboxamide
CID 71122107
3-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-N-methylfuro[3,2-c]pyridine-2-carboxamide
CID 59704658
3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 151410687

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (CID 154558318) is 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is NC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1.
What is the InChIKey of 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is CIYSXAQKWHGSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O2/c15-8-1-3-9(4-2-8)18-12-10-7-17-6-5-11(10)20-13(12)14(16)19/h1-7,18H,(H2,16,19).
What are the key properties of 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 379.16 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 154558318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).