4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide

C15H15FIN3O3 — CID 11189634

IUPAC4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCO)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C15H15FIN3O3/c1-20-8-10(15(23)18-4-5-21)13(7-14(20)22)19-12-3-2-9(17)6-11(12)16/h2-3,6-8,19,21H,4-5H2,1H3,(H,18,23)
InChIKeyPFHWTBSZWRJPNA-UHFFFAOYSA-N
MW431.21 g/mol
LogP1.59
Rot. Bonds5

About 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide

4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 11189634) has the molecular formula C15H15FIN3O3 and a molecular weight of 431.21 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID11189634
Molecular FormulaC15H15FIN3O3
Molecular Weight431.21 g/mol
Exact Mass431.01
IUPAC Name4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCCO)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C15H15FIN3O3/c1-20-8-10(15(23)18-4-5-21)13(7-14(20)22)19-12-3-2-9(17)6-11(12)16/h2-3,6-8,19,21H,4-5H2,1H3,(H,18,23)
InChIKeyPFHWTBSZWRJPNA-UHFFFAOYSA-N
XLogP1.59
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.21
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide (CID 11189634) is 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCCO)c(Nc2ccc(I)cc2F)cc1=O.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is PFHWTBSZWRJPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN3O3/c1-20-8-10(15(23)18-4-5-21)13(7-14(20)22)19-12-3-2-9(17)6-11(12)16/h2-3,6-8,19,21H,4-5H2,1H3,(H,18,23).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide?
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 431.21 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11189634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).