5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one

C18H21N3O3 — CID 99634746

IUPAC5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one
SMILESO=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-18-10-9-15(21(23)24)13-20(18)12-11-19-17-8-4-7-16(17)14-5-2-1-3-6-14/h1-3,5-6,9-10,13,16-17,19H,4,7-8,11-12H2/t16-,17-/m1/s1
InChIKeyBZSUCEKMSLOUSX-IAGOWNOFSA-N
MW327.38 g/mol
LogP2.68
Rot. Bonds6

About 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one

5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one (PubChem CID 99634746) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one
PubChem CID99634746
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one
SMILESO=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C18H21N3O3/c22-18-10-9-15(21(23)24)13-20(18)12-11-19-17-8-4-7-16(17)14-5-2-1-3-6-14/h1-3,5-6,9-10,13,16-17,19H,4,7-8,11-12H2/t16-,17-/m1/s1
InChIKeyBZSUCEKMSLOUSX-IAGOWNOFSA-N
XLogP2.68
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one?
The IUPAC name of 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one (CID 99634746) is 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one is O=c1ccc([N+](=O)[O-])cn1CCN[C@@H]1CCC[C@@H]1c1ccccc1.
What is the InChIKey of 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one?
The InChIKey is BZSUCEKMSLOUSX-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-18-10-9-15(21(23)24)13-20(18)12-11-19-17-8-4-7-16(17)14-5-2-1-3-6-14/h1-3,5-6,9-10,13,16-17,19H,4,7-8,11-12H2/t16-,17-/m1/s1.
What are the key properties of 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one?
5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-[2-[[(1R,2R)-2-phenylcyclopentyl]amino]ethyl]pyridin-2-one is sourced from PubChem (CID 99634746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).