N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide

C16H20F5N3O3 — CID 71491292

IUPACN-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1cccc(OCC(F)(F)C(F)(F)F)n1)C(=O)NC
InChIInChI=1S/C16H20F5N3O3/c1-4-14(5-2,13(26)22-3)24-12(25)10-7-6-8-11(23-10)27-9-15(17,18)16(19,20)21/h6-8H,4-5,9H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyRJWZYQFETKFLMW-UHFFFAOYSA-N
MW397.34 g/mol
LogP2.69
Rot. Bonds8

About N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide

N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide (PubChem CID 71491292) has the molecular formula C16H20F5N3O3 and a molecular weight of 397.34 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide
PubChem CID71491292
Molecular FormulaC16H20F5N3O3
Molecular Weight397.34 g/mol
Exact Mass397.14
IUPAC NameN-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide
SMILESCCC(CC)(NC(=O)c1cccc(OCC(F)(F)C(F)(F)F)n1)C(=O)NC
InChIInChI=1S/C16H20F5N3O3/c1-4-14(5-2,13(26)22-3)24-12(25)10-7-6-8-11(23-10)27-9-15(17,18)16(19,20)21/h6-8H,4-5,9H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyRJWZYQFETKFLMW-UHFFFAOYSA-N
XLogP2.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide (CID 71491292) is N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide is CCC(CC)(NC(=O)c1cccc(OCC(F)(F)C(F)(F)F)n1)C(=O)NC.
What is the InChIKey of N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide?
The InChIKey is RJWZYQFETKFLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F5N3O3/c1-4-14(5-2,13(26)22-3)24-12(25)10-7-6-8-11(23-10)27-9-15(17,18)16(19,20)21/h6-8H,4-5,9H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide?
N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide has a molecular weight of 397.34 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)pentan-3-yl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71491292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).