N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid

C16H19F3N2O3 — CID 171686481

IUPACN-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccncc1)C1CC12CCCCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N2O.C2HF3O2/c17-13(16-11-4-8-15-9-5-11)12-10-14(12)6-2-1-3-7-14;3-2(4,5)1(6)7/h4-5,8-9,12H,1-3,6-7,10H2,(H,15,16,17);(H,6,7)
InChIKeyVSAKAFWNLZZJHP-UHFFFAOYSA-N
MW344.33 g/mol
LogP3.62
Rot. Bonds2

About N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid

N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171686481) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171686481
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccncc1)C1CC12CCCCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N2O.C2HF3O2/c17-13(16-11-4-8-15-9-5-11)12-10-14(12)6-2-1-3-7-14;3-2(4,5)1(6)7/h4-5,8-9,12H,1-3,6-7,10H2,(H,15,16,17);(H,6,7)
InChIKeyVSAKAFWNLZZJHP-UHFFFAOYSA-N
XLogP3.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 171686481) is N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccncc1)C1CC12CCCCC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is VSAKAFWNLZZJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2HF3O2/c17-13(16-11-4-8-15-9-5-11)12-10-14(12)6-2-1-3-7-14;3-2(4,5)1(6)7/h4-5,8-9,12H,1-3,6-7,10H2,(H,15,16,17);(H,6,7).
What are the key properties of N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid?
N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 344.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-ylspiro[2.5]octane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171686481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).