2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

C14H12FIN2O2 — CID 58368279

IUPAC2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(Cc2ccc(I)cc2F)c(C(N)=O)ccc1=O
InChIInChI=1S/C14H12FIN2O2/c1-18-12(10(14(17)20)4-5-13(18)19)6-8-2-3-9(16)7-11(8)15/h2-5,7H,6H2,1H3,(H2,17,20)
InChIKeyLBHVKMPLIZHQQF-UHFFFAOYSA-N
MW386.16 g/mol
LogP1.82
Rot. Bonds3

About 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 58368279) has the molecular formula C14H12FIN2O2 and a molecular weight of 386.16 g/mol. Its IUPAC name is 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID58368279
Molecular FormulaC14H12FIN2O2
Molecular Weight386.16 g/mol
Exact Mass385.99
IUPAC Name2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(Cc2ccc(I)cc2F)c(C(N)=O)ccc1=O
InChIInChI=1S/C14H12FIN2O2/c1-18-12(10(14(17)20)4-5-13(18)19)6-8-2-3-9(16)7-11(8)15/h2-5,7H,6H2,1H3,(H2,17,20)
InChIKeyLBHVKMPLIZHQQF-UHFFFAOYSA-N
XLogP1.82
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.16
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
6-[(3,5-Difluorophenyl)methyl]-1-(ethoxymethyl)-5-iodopyrimidine-2,4-dione
CID 70692426
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764874
N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71982442
N-[2-(4-iodophenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide
CID 13500720
N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 27256590
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 4803573
N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17473022
N-[2-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 41365112
1-methyl-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 45825159
N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 56817799
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 71845254

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 58368279) is 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1c(Cc2ccc(I)cc2F)c(C(N)=O)ccc1=O.
What is the InChIKey of 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is LBHVKMPLIZHQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIN2O2/c1-18-12(10(14(17)20)4-5-13(18)19)6-8-2-3-9(16)7-11(8)15/h2-5,7H,6H2,1H3,(H2,17,20).
What are the key properties of 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 386.16 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 58368279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).