N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide

C14H18F3N3O2 — CID 87598737

IUPACN-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(C(F)(F)F)nc1N1CCCCC1
InChIInChI=1S/C14H18F3N3O2/c1-19(22-2)13(21)10-6-7-11(14(15,16)17)18-12(10)20-8-4-3-5-9-20/h6-7H,3-5,8-9H2,1-2H3
InChIKeyWTMOBHVSWYHITN-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.72
Rot. Bonds3

About N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide

N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 87598737) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID87598737
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCON(C)C(=O)c1ccc(C(F)(F)F)nc1N1CCCCC1
InChIInChI=1S/C14H18F3N3O2/c1-19(22-2)13(21)10-6-7-11(14(15,16)17)18-12(10)20-8-4-3-5-9-20/h6-7H,3-5,8-9H2,1-2H3
InChIKeyWTMOBHVSWYHITN-UHFFFAOYSA-N
XLogP2.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-Methyl-6-(trifluoromethyl)pyridin-3-yl](piperidino)methanone
CID 2796058
Tcmdc-123937
CID 317953
7-(trifluoromethyl)-1H,2H,3H,4H-pyrido(2,3-d)pyrimidine-2,4-dione
CID 12158110
flupyrsulfuron-methyl TP2
CID 100975564
1-Benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2353924
N-(5-methylpyridin-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 25511037
Nicotinamide, 2-anilino-N-ethyl-6-methyl-
CID 3061040
Nicotinamide, 2-anilino-N-butyl-6-methyl-
CID 3061043
1-methyl-7-(trifluoromethyl)-1H,2H,3H,4H-pyrido(2,3-d)pyrimidine-2,4-dione
CID 11195933
1-Butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2125468
2-methyl-6-(trifluoromethyl)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
CID 2796051
N-butyl-1-ethyl-N,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4083602

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 87598737) is N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide is CON(C)C(=O)c1ccc(C(F)(F)F)nc1N1CCCCC1.
What is the InChIKey of N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WTMOBHVSWYHITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-19(22-2)13(21)10-6-7-11(14(15,16)17)18-12(10)20-8-4-3-5-9-20/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 87598737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).