N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide

C17H17N3O3 — CID 102340847

IUPACN-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccccn1
InChIInChI=1S/C17H17N3O3/c21-17(16-3-1-2-10-18-16)19-14-7-4-13(11-14)12-5-8-15(9-6-12)20(22)23/h1-3,5-6,8-10,13-14H,4,7,11H2,(H,19,21)/t13-,14+/m0/s1
InChIKeyJFJCRSKCKJATIU-UONOGXRCSA-N
MW311.34 g/mol
LogP3.06
Rot. Bonds4

About N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide

N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide (PubChem CID 102340847) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide
PubChem CID102340847
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccccn1
InChIInChI=1S/C17H17N3O3/c21-17(16-3-1-2-10-18-16)19-14-7-4-13(11-14)12-5-8-15(9-6-12)20(22)23/h1-3,5-6,8-10,13-14H,4,7,11H2,(H,19,21)/t13-,14+/m0/s1
InChIKeyJFJCRSKCKJATIU-UONOGXRCSA-N
XLogP3.06
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide (CID 102340847) is N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide is O=C(N[C@@H]1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1)c1ccccn1.
What is the InChIKey of N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide?
The InChIKey is JFJCRSKCKJATIU-UONOGXRCSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-17(16-3-1-2-10-18-16)19-14-7-4-13(11-14)12-5-8-15(9-6-12)20(22)23/h1-3,5-6,8-10,13-14H,4,7,11H2,(H,19,21)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide?
N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(4-nitrophenyl)cyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 102340847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).