N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

C23H21F3N4O5 — CID 155868561

IUPACN-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1cccc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccncc4)CO[C@@H]3C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H20N4O3.C2HF3O2/c22-9-14-2-1-3-16(8-14)21(27)25-11-18-17(13-28-19(18)12-25)10-24-20(26)15-4-6-23-7-5-15;3-2(4,5)1(6)7/h1-8,17-19H,10-13H2,(H,24,26);(H,6,7)/t17-,18+,19+;/m0./s1
InChIKeyYJNASVBKEAHBEK-JQPLGUQCSA-N
MW490.44 g/mol
LogP2.10
Rot. Bonds4

About N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155868561) has the molecular formula C23H21F3N4O5 and a molecular weight of 490.44 g/mol. Its IUPAC name is N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155868561
Molecular FormulaC23H21F3N4O5
Molecular Weight490.44 g/mol
Exact Mass490.15
IUPAC NameN-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1cccc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccncc4)CO[C@@H]3C2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H20N4O3.C2HF3O2/c22-9-14-2-1-3-16(8-14)21(27)25-11-18-17(13-28-19(18)12-25)10-24-20(26)15-4-6-23-7-5-15;3-2(4,5)1(6)7/h1-8,17-19H,10-13H2,(H,24,26);(H,6,7)/t17-,18+,19+;/m0./s1
InChIKeyYJNASVBKEAHBEK-JQPLGUQCSA-N
XLogP2.10
TPSA132.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3R,3aS,6aS)-5-(3-methyl-1-benzofuran-2-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155860235
N-[[(3S,3aS,6aS)-5-(3-methylbutanoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155862057
N-[[(3S,3aS,6aS)-5-(1-fluorocyclobutanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155859357
N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155863393
N-[[(3S,3aS,6aS)-5-propan-2-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155865580
N-[[(3R,3aS,6aS)-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155863745
N-[[(3S,3aS,6aS)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155851965
N-[[(3S,3aS,6aS)-5-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155847672
N-[2-[2-(3-cyanobenzoyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155860871
N-[[(3S,3aR,6aR)-5-[(3-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide
CID 124796875
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820488
N-[[(3R,3aS,6aS)-5-(pyridine-2-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155845110

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155868561) is N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is N#Cc1cccc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccncc4)CO[C@@H]3C2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YJNASVBKEAHBEK-JQPLGUQCSA-N. The full InChI is InChI=1S/C21H20N4O3.C2HF3O2/c22-9-14-2-1-3-16(8-14)21(27)25-11-18-17(13-28-19(18)12-25)10-24-20(26)15-4-6-23-7-5-15;3-2(4,5)1(6)7/h1-8,17-19H,10-13H2,(H,24,26);(H,6,7)/t17-,18+,19+;/m0./s1.
What are the key properties of N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 490.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS,6aS)-5-(3-cyanobenzoyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155868561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).