1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

C14H18F3N3O2 — CID 146121806

IUPAC1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H18F3N3O2/c1-19-8-10(2-3-12(19)21)13(22)18-11-4-6-20(7-5-11)9-14(15,16)17/h2-3,8,11H,4-7,9H2,1H3,(H,18,22)
InChIKeyFEKZKIZUNAXBLO-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.14
Rot. Bonds3

About 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide

1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 146121806) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID146121806
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC(F)(F)F)CC2)ccc1=O
InChIInChI=1S/C14H18F3N3O2/c1-19-8-10(2-3-12(19)21)13(22)18-11-4-6-20(7-5-11)9-14(15,16)17/h2-3,8,11H,4-7,9H2,1H3,(H,18,22)
InChIKeyFEKZKIZUNAXBLO-UHFFFAOYSA-N
XLogP1.14
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 146121806) is 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is Cn1cc(C(=O)NC2CCN(CC(F)(F)F)CC2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is FEKZKIZUNAXBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-19-8-10(2-3-12(19)21)13(22)18-11-4-6-20(7-5-11)9-14(15,16)17/h2-3,8,11H,4-7,9H2,1H3,(H,18,22).
What are the key properties of 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide?
1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146121806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).