5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide

C17H19N3O4 — CID 98790580

IUPAC5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide
SMILESC[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C17H19N3O4/c1-12(13-5-3-2-4-6-13)19-10-9-14(11-19)18-17(21)15-7-8-16(24-15)20(22)23/h2-8,12,14H,9-11H2,1H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyVFPVTKRHVPZPPK-TZMCWYRMSA-N
MW329.36 g/mol
LogP2.75
Rot. Bonds5

About 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide

5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 98790580) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide
PubChem CID98790580
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide
SMILESC[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1
InChIInChI=1S/C17H19N3O4/c1-12(13-5-3-2-4-6-13)19-10-9-14(11-19)18-17(21)15-7-8-16(24-15)20(22)23/h2-8,12,14H,9-11H2,1H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyVFPVTKRHVPZPPK-TZMCWYRMSA-N
XLogP2.75
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
5-nitro-N-pyrrolidin-3-ylfuran-2-carboxamide
CID 62379342
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
6-oxo-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 94536258
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide (CID 98790580) is 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide is C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1.
What is the InChIKey of 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is VFPVTKRHVPZPPK-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12(13-5-3-2-4-6-13)19-10-9-14(11-19)18-17(21)15-7-8-16(24-15)20(22)23/h2-8,12,14H,9-11H2,1H3,(H,18,21)/t12-,14-/m1/s1.
What are the key properties of 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide?
5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 98790580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).