N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C14H17F3N4O2 — CID 110737938

IUPACN-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)nn1
InChIInChI=1S/C14H17F3N4O2/c1-9-2-3-11(20-19-9)8-18-12(22)10-4-6-21(7-5-10)13(23)14(15,16)17/h2-3,10H,4-8H2,1H3,(H,18,22)
InChIKeyGWBZYKLWVZNPPS-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.20
Rot. Bonds3

About N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110737938) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110737938
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC NameN-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)nn1
InChIInChI=1S/C14H17F3N4O2/c1-9-2-3-11(20-19-9)8-18-12(22)10-4-6-21(7-5-10)13(23)14(15,16)17/h2-3,10H,4-8H2,1H3,(H,18,22)
InChIKeyGWBZYKLWVZNPPS-UHFFFAOYSA-N
XLogP1.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110737938) is N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)C(F)(F)F)CC2)nn1.
What is the InChIKey of N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is GWBZYKLWVZNPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-9-2-3-11(20-19-9)8-18-12(22)10-4-6-21(7-5-10)13(23)14(15,16)17/h2-3,10H,4-8H2,1H3,(H,18,22).
What are the key properties of N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 330.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyridazin-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110737938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).