6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine

C15H20F7N3O2 — CID 158228991

IUPAC6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine
SMILESCCCN.CCCNC(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F7N2O2.C3H9N/c1-2-5-20-8(22)6-3-4-7(21-9(6)23)10(13,14)11(15,16)12(17,18)19;1-2-3-4/h3-4H,2,5H2,1H3,(H,20,22)(H,21,23);2-4H2,1H3
InChIKeyGEDOLHVELXYQTG-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.16
Rot. Bonds6

About 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine

6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine (PubChem CID 158228991) has the molecular formula C15H20F7N3O2 and a molecular weight of 407.33 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine
PubChem CID158228991
Molecular FormulaC15H20F7N3O2
Molecular Weight407.33 g/mol
Exact Mass407.14
IUPAC Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine
SMILESCCCN.CCCNC(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F7N2O2.C3H9N/c1-2-5-20-8(22)6-3-4-7(21-9(6)23)10(13,14)11(15,16)12(17,18)19;1-2-3-4/h3-4H,2,5H2,1H3,(H,20,22)(H,21,23);2-4H2,1H3
InChIKeyGEDOLHVELXYQTG-UHFFFAOYSA-N
XLogP3.16
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine?
The IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine (CID 158228991) is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine.
What is the SMILES notation for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine?
The canonical SMILES for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine is CCCN.CCCNC(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O.
What is the InChIKey of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine?
The InChIKey is GEDOLHVELXYQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F7N2O2.C3H9N/c1-2-5-20-8(22)6-3-4-7(21-9(6)23)10(13,14)11(15,16)12(17,18)19;1-2-3-4/h3-4H,2,5H2,1H3,(H,20,22)(H,21,23);2-4H2,1H3.
What are the key properties of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine?
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine has a molecular weight of 407.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide;propan-1-amine is sourced from PubChem (CID 158228991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).