N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H14F3N3O2 — CID 63710039

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1cc(NC(=O)C2(C(F)(F)F)CCNC2)ccc1=O
InChIInChI=1S/C12H14F3N3O2/c1-18-6-8(2-3-9(18)19)17-10(20)11(12(13,14)15)4-5-16-7-11/h2-3,6,16H,4-5,7H2,1H3,(H,17,20)
InChIKeyWFFMRHWMNYMPPF-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.87
Rot. Bonds2

About N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710039) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710039
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1cc(NC(=O)C2(C(F)(F)F)CCNC2)ccc1=O
InChIInChI=1S/C12H14F3N3O2/c1-18-6-8(2-3-9(18)19)17-10(20)11(12(13,14)15)4-5-16-7-11/h2-3,6,16H,4-5,7H2,1H3,(H,17,20)
InChIKeyWFFMRHWMNYMPPF-UHFFFAOYSA-N
XLogP0.87
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63720093
3-(trifluoromethyl)-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63719915
N-(3-fluoro-5-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79049706
N-(3-hydroxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710418
N-(4-bromo-3-methoxyphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82861189
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710910
N-(2,6-difluoro-3-methylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82801087
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106390785
N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944538
3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 63140353
N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709325
2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 83071655

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710039) is N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cn1cc(NC(=O)C2(C(F)(F)F)CCNC2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is WFFMRHWMNYMPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-18-6-8(2-3-9(18)19)17-10(20)11(12(13,14)15)4-5-16-7-11/h2-3,6,16H,4-5,7H2,1H3,(H,17,20).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).