N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine

C13H18F3N3O2 — CID 153398096

IUPACN-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine
SMILESCc1cc(=O)n(C)cc1NC=O.FC(F)(F)C1CCNC1
InChIInChI=1S/C8H10N2O2.C5H8F3N/c1-6-3-8(12)10(2)4-7(6)9-5-11;6-5(7,8)4-1-2-9-3-4/h3-5H,1-2H3,(H,9,11);4,9H,1-3H2
InChIKeyOKRQFNWTOQEXBD-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.42
Rot. Bonds2

About N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine

N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine (PubChem CID 153398096) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound NameN-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine
PubChem CID153398096
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine
SMILESCc1cc(=O)n(C)cc1NC=O.FC(F)(F)C1CCNC1
InChIInChI=1S/C8H10N2O2.C5H8F3N/c1-6-3-8(12)10(2)4-7(6)9-5-11;6-5(7,8)4-1-2-9-3-4/h3-5H,1-2H3,(H,9,11);4,9H,1-3H2
InChIKeyOKRQFNWTOQEXBD-UHFFFAOYSA-N
XLogP1.42
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-N-(1,4-dimethyl-6-oxopyridin-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120936993
(Z)-3-[[2-fluoro-6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl-formylamino]-N-methylbut-2-enamide
CID 155699504
N-[4-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]formamide
CID 174933839
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 72052837
(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95764723
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95764724
2-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
CID 103762966
(3S,4S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936992
(3S,4S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963522
2-methyl-6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
CID 137979381
1-[(Pyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 168030378
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]formamide;pyrrolidine
CID 153398195

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine?
The IUPAC name of N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine (CID 153398096) is N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine is Cc1cc(=O)n(C)cc1NC=O.FC(F)(F)C1CCNC1.
What is the InChIKey of N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine?
The InChIKey is OKRQFNWTOQEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C5H8F3N/c1-6-3-8(12)10(2)4-7(6)9-5-11;6-5(7,8)4-1-2-9-3-4/h3-5H,1-2H3,(H,9,11);4,9H,1-3H2.
What are the key properties of N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine?
N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine has a molecular weight of 305.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-6-oxo-3-pyridinyl)formamide;3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 153398096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).