N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane

C14H19FI2N2O — CID 144683851

IUPACN-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
SMILESCC(I)I.O=C(NC1CCCCC1)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O.C2H4I2/c13-11-8-9(6-7-14-11)12(16)15-10-4-2-1-3-5-10;1-2(3)4/h6-8,10H,1-5H2,(H,15,16);2H,1H3
InChIKeyJYKYNZKJVLHUGP-UHFFFAOYSA-N
MW504.13 g/mol
LogP4.49
Rot. Bonds2

About N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane

N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane (PubChem CID 144683851) has the molecular formula C14H19FI2N2O and a molecular weight of 504.13 g/mol. Its IUPAC name is N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane.

Molecular Properties

Compound NameN-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
PubChem CID144683851
Molecular FormulaC14H19FI2N2O
Molecular Weight504.13 g/mol
Exact Mass503.96
IUPAC NameN-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane
SMILESCC(I)I.O=C(NC1CCCCC1)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O.C2H4I2/c13-11-8-9(6-7-14-11)12(16)15-10-4-2-1-3-5-10;1-2(3)4/h6-8,10H,1-5H2,(H,15,16);2H,1H3
InChIKeyJYKYNZKJVLHUGP-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.13
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
3-[(2-fluoropyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114036906
N-cyclohexyl-2-ethyl-6-fluoropyridine-4-carboxamide
CID 123798509
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
2-amino-N-cyclopentylpyridine-4-carboxamide
CID 62154850
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349705
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-fluoropyridine-4-carboxamide
CID 90349621
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128
N-cyclohexylpyridine-4-carboxamide
CID 3436730
3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590844

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane?
The IUPAC name of N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane (CID 144683851) is N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane.
What is the SMILES notation for N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane?
The canonical SMILES for N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane is CC(I)I.O=C(NC1CCCCC1)c1ccnc(F)c1.
What is the InChIKey of N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane?
The InChIKey is JYKYNZKJVLHUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.C2H4I2/c13-11-8-9(6-7-14-11)12(16)15-10-4-2-1-3-5-10;1-2(3)4/h6-8,10H,1-5H2,(H,15,16);2H,1H3.
What are the key properties of N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane?
N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane has a molecular weight of 504.13 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-fluoropyridine-4-carboxamide;1,1-diiodoethane is sourced from PubChem (CID 144683851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).