2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile

C17H16FN5O2 — CID 133411802

IUPAC2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCN(c3ccccc3F)C2)c1[N+](=O)[O-]
InChIInChI=1S/C17H16FN5O2/c18-14-5-1-2-6-15(14)22-9-3-4-13(11-22)21-17-16(23(24)25)12(10-19)7-8-20-17/h1-2,5-8,13H,3-4,9,11H2,(H,20,21)
InChIKeyZZRDBBPZJVSKOT-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.08
Rot. Bonds4

About 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile

2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile (PubChem CID 133411802) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile
PubChem CID133411802
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCCN(c3ccccc3F)C2)c1[N+](=O)[O-]
InChIInChI=1S/C17H16FN5O2/c18-14-5-1-2-6-15(14)22-9-3-4-13(11-22)21-17-16(23(24)25)12(10-19)7-8-20-17/h1-2,5-8,13H,3-4,9,11H2,(H,20,21)
InChIKeyZZRDBBPZJVSKOT-UHFFFAOYSA-N
XLogP3.08
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
CID 80712109
2-[(1-ethylpiperidin-3-yl)amino]-3-nitropyridine-4-carbonitrile
CID 80719136
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
CID 133411829
3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile
CID 82813443
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822
3-nitro-2-(thiolan-3-ylamino)pyridine-4-carbonitrile
CID 103764758
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitrobenzenesulfonamide
CID 133411795
2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-3-nitropyridine-4-carbonitrile
CID 133387386
4-chloro-5-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133411898
2-[3-(methylamino)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82813658
2-[(2-aminocyclopropyl)amino]-3-nitropyridine-4-carbonitrile
CID 82812926

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile?
The IUPAC name of 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile (CID 133411802) is 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile is N#Cc1ccnc(NC2CCCN(c3ccccc3F)C2)c1[N+](=O)[O-].
What is the InChIKey of 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile?
The InChIKey is ZZRDBBPZJVSKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-14-5-1-2-6-15(14)22-9-3-4-13(11-22)21-17-16(23(24)25)12(10-19)7-8-20-17/h1-2,5-8,13H,3-4,9,11H2,(H,20,21).
What are the key properties of 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile?
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile has a molecular weight of 341.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 133411802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).