N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide

C27H24FN3O4 — CID 69051158

IUPACN-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide
SMILESO=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C27H24FN3O4/c28-20-9-6-17(7-10-20)14-22(27(34)31-13-12-24-25(31)23(32)16-35-24)30-26(33)19-8-11-21(29-15-19)18-4-2-1-3-5-18/h1-11,15,22,24-25H,12-14,16H2,(H,30,33)
InChIKeyFWEJAICZPSGDMV-UHFFFAOYSA-N
MW473.50 g/mol
LogP2.80
Rot. Bonds6

About N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide

N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide (PubChem CID 69051158) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide
PubChem CID69051158
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC NameN-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide
SMILESO=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C27H24FN3O4/c28-20-9-6-17(7-10-20)14-22(27(34)31-13-12-24-25(31)23(32)16-35-24)30-26(33)19-8-11-21(29-15-19)18-4-2-1-3-5-18/h1-11,15,22,24-25H,12-14,16H2,(H,30,33)
InChIKeyFWEJAICZPSGDMV-UHFFFAOYSA-N
XLogP2.80
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 142154220
4-(dimethylamino)-N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]benzamide
CID 69048928
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-4-phenylbenzamide
CID 72563054
N-[3-(4-bromophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-(thiadiazol-5-yl)benzamide
CID 69049366
N-[3-(4-aminophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-(thiadiazol-5-yl)benzamide
CID 69050062
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-2-phenylacetamide
CID 69327933
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 59791716
N-[3-(4-aminophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-tert-butylbenzamide
CID 69374333
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-phenylacetamide;sulfane
CID 158366265
N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 91130262
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 90708780

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide (CID 69051158) is N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide is O=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC2OCC(=O)C21)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide?
The InChIKey is FWEJAICZPSGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4/c28-20-9-6-17(7-10-20)14-22(27(34)31-13-12-24-25(31)23(32)16-35-24)30-26(33)19-8-11-21(29-15-19)18-4-2-1-3-5-18/h1-11,15,22,24-25H,12-14,16H2,(H,30,33).
What are the key properties of N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide?
N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 69051158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).