N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen

C14H20F3N3O2 — CID 153398173

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
SMILESCCn1cc(NC(=O)C2CCC(C(F)(F)F)CN2)ccc1=O.[H][H]
InChIInChI=1S/C14H18F3N3O2.H2/c1-2-20-8-10(4-6-12(20)21)19-13(22)11-5-3-9(7-18-11)14(15,16)17;/h4,6,8-9,11,18H,2-3,5,7H2,1H3,(H,19,22);1H
InChIKeyBQVWBPIXWWYYDF-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.98
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen

N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen (PubChem CID 153398173) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
PubChem CID153398173
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
SMILESCCn1cc(NC(=O)C2CCC(C(F)(F)F)CN2)ccc1=O.[H][H]
InChIInChI=1S/C14H18F3N3O2.H2/c1-2-20-8-10(4-6-12(20)21)19-13(22)11-5-3-9(7-18-11)14(15,16)17;/h4,6,8-9,11,18H,2-3,5,7H2,1H3,(H,19,22);1H
InChIKeyBQVWBPIXWWYYDF-UHFFFAOYSA-N
XLogP1.98
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-Oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-oxalamide
CID 9977679
2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10361206
2-(3-Amino-2-oxo-2H-pyridin-1-yl)-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10426076
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-2-carboxamide
CID 72046367
N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
(2S)-N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 97819389
(2S)-N-(2,2-difluoroethyl)-1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidine-2-carboxamide
CID 137994880
(3S)-1-methyl-4-(6-oxo-1H-pyridine-2-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 164630136
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449097
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-(methylamino)pyridin-2-one
CID 137449496
1-(3,3-Difluoro-1-methylpiperidin-4-yl)-3-(methylamino)pyridin-2-one
CID 137449499

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen (CID 153398173) is N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen is CCn1cc(NC(=O)C2CCC(C(F)(F)F)CN2)ccc1=O.[H][H].
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen?
The InChIKey is BQVWBPIXWWYYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2.H2/c1-2-20-8-10(4-6-12(20)21)19-13(22)11-5-3-9(7-18-11)14(15,16)17;/h4,6,8-9,11,18H,2-3,5,7H2,1H3,(H,19,22);1H.
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen?
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen has a molecular weight of 319.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 153398173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).