N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide

C16H21F3N4O2 — CID 133331661

IUPACN,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCCC(C(=O)NCC(F)(F)F)C2)nc1
InChIInChI=1S/C16H21F3N4O2/c1-22(2)15(25)11-5-6-13(20-8-11)23-7-3-4-12(9-23)14(24)21-10-16(17,18)19/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,21,24)
InChIKeyNSKDZINTPWZPJK-UHFFFAOYSA-N
MW358.36 g/mol
LogP1.68
Rot. Bonds4

About N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide

N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133331661) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133331661
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC NameN,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(N2CCCC(C(=O)NCC(F)(F)F)C2)nc1
InChIInChI=1S/C16H21F3N4O2/c1-22(2)15(25)11-5-6-13(20-8-11)23-7-3-4-12(9-23)14(24)21-10-16(17,18)19/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,21,24)
InChIKeyNSKDZINTPWZPJK-UHFFFAOYSA-N
XLogP1.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide (CID 133331661) is N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(N2CCCC(C(=O)NCC(F)(F)F)C2)nc1.
What is the InChIKey of N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is NSKDZINTPWZPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-22(2)15(25)11-5-6-13(20-8-11)23-7-3-4-12(9-23)14(24)21-10-16(17,18)19/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,21,24).
What are the key properties of N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide?
N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133331661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).