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

C19H20FIN4O2 — CID 25014354

IUPACN-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C19H20FIN4O2/c1-25(2)9-3-7-23-19(26)18-17(13-11-22-8-6-16(13)27-18)24-15-5-4-12(21)10-14(15)20/h4-6,8,10-11,24H,3,7,9H2,1-2H3,(H,23,26)
InChIKeyYLAVBMKSZSBGPX-UHFFFAOYSA-N
MW482.30 g/mol
LogP4.00
Rot. Bonds7

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

N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 25014354) has the molecular formula C19H20FIN4O2 and a molecular weight of 482.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
PubChem CID25014354
Molecular FormulaC19H20FIN4O2
Molecular Weight482.30 g/mol
Exact Mass482.06
IUPAC NameN-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C19H20FIN4O2/c1-25(2)9-3-7-23-19(26)18-17(13-11-22-8-6-16(13)27-18)24-15-5-4-12(21)10-14(15)20/h4-6,8,10-11,24H,3,7,9H2,1-2H3,(H,23,26)
InChIKeyYLAVBMKSZSBGPX-UHFFFAOYSA-N
XLogP4.00
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (CID 25014354) is N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is CN(C)CCCNC(=O)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is YLAVBMKSZSBGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FIN4O2/c1-25(2)9-3-7-23-19(26)18-17(13-11-22-8-6-16(13)27-18)24-15-5-4-12(21)10-14(15)20/h4-6,8,10-11,24H,3,7,9H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 482.30 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25014354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).