N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide

C21H25F3N2O4 — CID 69052038

IUPACN-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCCC2OCC(=O)C21
InChIInChI=1S/C21H25F3N2O4/c1-12(2)10-15(20(29)26-9-3-4-17-18(26)16(27)11-30-17)25-19(28)13-5-7-14(8-6-13)21(22,23)24/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3,(H,25,28)
InChIKeyGAWJYTFENXENDB-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.81
Rot. Bonds5

About N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide

N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 69052038) has the molecular formula C21H25F3N2O4 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID69052038
Molecular FormulaC21H25F3N2O4
Molecular Weight426.44 g/mol
Exact Mass426.18
IUPAC NameN-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCCC2OCC(=O)C21
InChIInChI=1S/C21H25F3N2O4/c1-12(2)10-15(20(29)26-9-3-4-17-18(26)16(27)11-30-17)25-19(28)13-5-7-14(8-6-13)21(22,23)24/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3,(H,25,28)
InChIKeyGAWJYTFENXENDB-UHFFFAOYSA-N
XLogP2.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-(difluoromethoxy)-N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]benzamide
CID 69052022
4-methoxy-N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]benzamide
CID 69373523
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-bromobenzamide;methane;sulfane
CID 159738345
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-(4-cyclopropylpiperazin-1-yl)benzamide
CID 24759822
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-(1-propylpiperidin-4-yl)benzamide
CID 68682366
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 163431387
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-4-(thiadiazol-4-yl)benzamide
CID 69051055
N-[(2S)-1-[(3aR,7aS)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-3-carboxamide
CID 59791803
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388
N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide
CID 59791648
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-3-bromobenzamide
CID 142154198
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-6-phenylpyridine-3-carboxamide
CID 69050177

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide (CID 69052038) is N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide is CC(C)CC(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N1CCCC2OCC(=O)C21.
What is the InChIKey of N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is GAWJYTFENXENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O4/c1-12(2)10-15(20(29)26-9-3-4-17-18(26)16(27)11-30-17)25-19(28)13-5-7-14(8-6-13)21(22,23)24/h5-8,12,15,17-18H,3-4,9-11H2,1-2H3,(H,25,28).
What are the key properties of N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide?
N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 426.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 69052038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).