N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C19H19F3N8O2 — CID 30750237

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N8O2/c1-11(31)23-13-2-3-15(14(10-13)19(20,21)22)24-18(32)12-6-8-29(9-7-12)17-5-4-16-25-27-28-30(16)26-17/h2-5,10,12H,6-9H2,1H3,(H,23,31)(H,24,32)
InChIKeySFGDYCNYQFKWOP-UHFFFAOYSA-N
MW448.41 g/mol
LogP2.35
Rot. Bonds4

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 30750237) has the molecular formula C19H19F3N8O2 and a molecular weight of 448.41 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID30750237
Molecular FormulaC19H19F3N8O2
Molecular Weight448.41 g/mol
Exact Mass448.16
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N8O2/c1-11(31)23-13-2-3-15(14(10-13)19(20,21)22)24-18(32)12-6-8-29(9-7-12)17-5-4-16-25-27-28-30(16)26-17/h2-5,10,12H,6-9H2,1H3,(H,23,31)(H,24,32)
InChIKeySFGDYCNYQFKWOP-UHFFFAOYSA-N
XLogP2.35
TPSA117.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 30750237) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is SFGDYCNYQFKWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N8O2/c1-11(31)23-13-2-3-15(14(10-13)19(20,21)22)24-18(32)12-6-8-29(9-7-12)17-5-4-16-25-27-28-30(16)26-17/h2-5,10,12H,6-9H2,1H3,(H,23,31)(H,24,32).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 448.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30750237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).