N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide

C12H13F4N3O — CID 103739437

IUPACN-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(F)c(F)nc(F)c2F)C1
InChIInChI=1S/C12H13F4N3O/c1-17-12(20)6-3-2-4-19(5-6)9-7(13)10(15)18-11(16)8(9)14/h6H,2-5H2,1H3,(H,17,20)
InChIKeyJIVNWMUDXXYWEU-UHFFFAOYSA-N
MW291.25 g/mol
LogP1.60
Rot. Bonds2

About N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide

N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide (PubChem CID 103739437) has the molecular formula C12H13F4N3O and a molecular weight of 291.25 g/mol. Its IUPAC name is N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide
PubChem CID103739437
Molecular FormulaC12H13F4N3O
Molecular Weight291.25 g/mol
Exact Mass291.10
IUPAC NameN-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2c(F)c(F)nc(F)c2F)C1
InChIInChI=1S/C12H13F4N3O/c1-17-12(20)6-3-2-4-19(5-6)9-7(13)10(15)18-11(16)8(9)14/h6H,2-5H2,1H3,(H,17,20)
InChIKeyJIVNWMUDXXYWEU-UHFFFAOYSA-N
XLogP1.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide
CID 42960282
2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine
CID 132602371
1-[4-(2,3,5,6-Tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
CID 23402901
N-(2,3,5,6-tetrafluoro-4-pyridinyl)butanamide
CID 130387820
N-(2,3,5,6-tetrafluoro-4-pyridinyl)hexanamide
CID 169302921
1,8-Bis(2,3,5,6-tetrafluoropyridin-4-yl)-1,4,8,11-tetraazacyclotetradecane-5,12-dione
CID 5149417
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide
CID 38708897
trans-(1S,2S)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide
CID 38708898
trans-(1R,2R)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide
CID 38708899
cis-(1R,2S)-2-methyl-N-[3-oxo-3-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)hydrazinyl]propyl]cyclopropane-1-carboxamide
CID 38708900
N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
CID 79904277
N-propyl-3-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
CID 79904409

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide (CID 103739437) is N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide is CNC(=O)C1CCCN(c2c(F)c(F)nc(F)c2F)C1.
What is the InChIKey of N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide?
The InChIKey is JIVNWMUDXXYWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O/c1-17-12(20)6-3-2-4-19(5-6)9-7(13)10(15)18-11(16)8(9)14/h6H,2-5H2,1H3,(H,17,20).
What are the key properties of N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide?
N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide has a molecular weight of 291.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 103739437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).