2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine

C19H17N3O2 — CID 133272284

IUPAC2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C19H17N3O2/c23-22(24)18-10-4-12-20-19(18)21-13-5-11-17(21)16-9-3-7-14-6-1-2-8-15(14)16/h1-4,6-10,12,17H,5,11,13H2
InChIKeyLEOSDPVTFCZWPZ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.48
Rot. Bonds3

About 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine

2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine (PubChem CID 133272284) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine
PubChem CID133272284
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1N1CCCC1c1cccc2ccccc12
InChIInChI=1S/C19H17N3O2/c23-22(24)18-10-4-12-20-19(18)21-13-5-11-17(21)16-9-3-7-14-6-1-2-8-15(14)16/h1-4,6-10,12,17H,5,11,13H2
InChIKeyLEOSDPVTFCZWPZ-UHFFFAOYSA-N
XLogP4.48
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
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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Related Compounds

2-[1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61371100
3-[(4-bromophenyl)methyl]-5-[(2R)-1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 97212220
3-[1-(3-nitro-2-pyridinyl)piperidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 133280198
1-methyl-2-(3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 67142862
1-cyclopropyl-2-(3-nitro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 67140949
methyl 5-methyl-2-[(2R)-1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 124888834
ethyl 1-(3-nitro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62004802
(4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one
CID 97250167
2-[2-(2-methoxy-3-nitrophenyl)pyrrolidin-1-yl]-4-methylquinoline
CID 70346214
2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096
2-[(2R)-2-(3-methylbutyl)piperidin-1-yl]-3-nitropyridine
CID 97014461
tert-butyl N-[[(2R)-1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]carbamate
CID 97174530

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine?
The IUPAC name of 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine (CID 133272284) is 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine.
What is the SMILES notation for 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine?
The canonical SMILES for 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine is O=[N+]([O-])c1cccnc1N1CCCC1c1cccc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine?
The InChIKey is LEOSDPVTFCZWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-22(24)18-10-4-12-20-19(18)21-13-5-11-17(21)16-9-3-7-14-6-1-2-8-15(14)16/h1-4,6-10,12,17H,5,11,13H2.
What are the key properties of 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine?
2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine has a molecular weight of 319.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylpyrrolidin-1-yl)-3-nitropyridine is sourced from PubChem (CID 133272284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).