4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide

C15H15FIN3O3 — CID 11316380

IUPAC4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCO)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C15H15FIN3O3/c16-11-6-9(17)2-3-12(11)20-13-7-14(22)19-8-10(13)15(23)18-4-1-5-21/h2-3,6-8,21H,1,4-5H2,(H,18,23)(H2,19,20,22)
InChIKeyXZXMFNFAAKDSKH-UHFFFAOYSA-N
MW431.21 g/mol
LogP1.97
Rot. Bonds6

About 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide

4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 11316380) has the molecular formula C15H15FIN3O3 and a molecular weight of 431.21 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID11316380
Molecular FormulaC15H15FIN3O3
Molecular Weight431.21 g/mol
Exact Mass431.01
IUPAC Name4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCO)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C15H15FIN3O3/c16-11-6-9(17)2-3-12(11)20-13-7-14(22)19-8-10(13)15(23)18-4-1-5-21/h2-3,6-8,21H,1,4-5H2,(H,18,23)(H2,19,20,22)
InChIKeyXZXMFNFAAKDSKH-UHFFFAOYSA-N
XLogP1.97
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.21
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide (CID 11316380) is 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCCO)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XZXMFNFAAKDSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN3O3/c16-11-6-9(17)2-3-12(11)20-13-7-14(22)19-8-10(13)15(23)18-4-1-5-21/h2-3,6-8,21H,1,4-5H2,(H,18,23)(H2,19,20,22).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide?
4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 431.21 g/mol, XLogP of 1.97, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 11316380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).