N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane

C22H26F4I2N4O2 — CID 139199292

IUPACN-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
SMILESFC(F)(I)C(F)(F)I.O=C(NCCCCCCCCNC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C20H26N4O2.C2F4I2/c25-19(17-9-7-11-21-15-17)23-13-5-3-1-2-4-6-14-24-20(26)18-10-8-12-22-16-18;3-1(4,7)2(5,6)8/h7-12,15-16H,1-6,13-14H2,(H,23,25)(H,24,26);
InChIKeyHCKMLVMGXBVWDS-UHFFFAOYSA-N
MW708.28 g/mol
LogP6.02
Rot. Bonds12

About N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane

N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane (PubChem CID 139199292) has the molecular formula C22H26F4I2N4O2 and a molecular weight of 708.28 g/mol. Its IUPAC name is N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane.

Molecular Properties

Compound NameN-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
PubChem CID139199292
Molecular FormulaC22H26F4I2N4O2
Molecular Weight708.28 g/mol
Exact Mass708.01
IUPAC NameN-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
SMILESFC(F)(I)C(F)(F)I.O=C(NCCCCCCCCNC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C20H26N4O2.C2F4I2/c25-19(17-9-7-11-21-15-17)23-13-5-3-1-2-4-6-14-24-20(26)18-10-8-12-22-16-18;3-1(4,7)2(5,6)8/h7-12,15-16H,1-6,13-14H2,(H,23,25)(H,24,26);
InChIKeyHCKMLVMGXBVWDS-UHFFFAOYSA-N
XLogP6.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.28
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[3-[[2-(trifluoromethyl)benzoyl]amino]propyl]pyridine-3-carboxamide
CID 108926636
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-[4-(pyridine-3-carbonyldiazenyl)butyl]pyridine-3-carboxamide
CID 121405803

Frequently Asked Questions

What is the IUPAC name of N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane?
The IUPAC name of N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane (CID 139199292) is N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane.
What is the SMILES notation for N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane?
The canonical SMILES for N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane is FC(F)(I)C(F)(F)I.O=C(NCCCCCCCCNC(=O)c1cccnc1)c1cccnc1.
What is the InChIKey of N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane?
The InChIKey is HCKMLVMGXBVWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.C2F4I2/c25-19(17-9-7-11-21-15-17)23-13-5-3-1-2-4-6-14-24-20(26)18-10-8-12-22-16-18;3-1(4,7)2(5,6)8/h7-12,15-16H,1-6,13-14H2,(H,23,25)(H,24,26);.
What are the key properties of N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane?
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane has a molecular weight of 708.28 g/mol, XLogP of 6.02, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane is sourced from PubChem (CID 139199292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).