N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C16H15F3N2O2 — CID 45487805

IUPACN-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)8-9-23-14-7-6-13(11-20-14)15(22)21-10-12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H,21,22)
InChIKeyKOPBISOWPWQPSS-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.34
Rot. Bonds6

About N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 45487805) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID45487805
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)8-9-23-14-7-6-13(11-20-14)15(22)21-10-12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H,21,22)
InChIKeyKOPBISOWPWQPSS-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 45487805) is N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(OCCC(F)(F)F)nc1.
What is the InChIKey of N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is KOPBISOWPWQPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)8-9-23-14-7-6-13(11-20-14)15(22)21-10-12-4-2-1-3-5-12/h1-7,11H,8-10H2,(H,21,22).
What are the key properties of N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 45487805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).