N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine

C16H12N4O2S — CID 45035606

IUPACN-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine
SMILESO=[N+]([O-])c1ccc(Nc2cccnc2Sc2ccccc2)nc1
InChIInChI=1S/C16H12N4O2S/c21-20(22)12-8-9-15(18-11-12)19-14-7-4-10-17-16(14)23-13-5-2-1-3-6-13/h1-11H,(H,18,19)
InChIKeyOTASOYFDVPFKHE-UHFFFAOYSA-N
MW324.37 g/mol
LogP4.28
Rot. Bonds5

About N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine

N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine (PubChem CID 45035606) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine.

Molecular Properties

Compound NameN-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine
PubChem CID45035606
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC NameN-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine
SMILESO=[N+]([O-])c1ccc(Nc2cccnc2Sc2ccccc2)nc1
InChIInChI=1S/C16H12N4O2S/c21-20(22)12-8-9-15(18-11-12)19-14-7-4-10-17-16(14)23-13-5-2-1-3-6-13/h1-11H,(H,18,19)
InChIKeyOTASOYFDVPFKHE-UHFFFAOYSA-N
XLogP4.28
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 54.28
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-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine
CID 121006270
5-nitro-2-phenylsulfanyl-3-(trifluoromethyl)pyridine
CID 2727288
N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
CID 4764041
5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6035374
5-nitro-N-(1-phenylethyl)pyridin-2-amine
CID 571172
N-(4-fluorophenyl)-5-nitropyridin-2-amine
CID 3146297
4-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2842438
N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
CID 4764031
2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 47235500
3-[(5-nitro-2-pyridinyl)amino]benzoic acid
CID 2858481
N-(2-methyl-1-phenylpropyl)-5-nitropyridin-2-amine
CID 16962694
N-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 2867447

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine?
The IUPAC name of N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine (CID 45035606) is N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine.
What is the SMILES notation for N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine?
The canonical SMILES for N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine is O=[N+]([O-])c1ccc(Nc2cccnc2Sc2ccccc2)nc1.
What is the InChIKey of N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine?
The InChIKey is OTASOYFDVPFKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c21-20(22)12-8-9-15(18-11-12)19-14-7-4-10-17-16(14)23-13-5-2-1-3-6-13/h1-11H,(H,18,19).
What are the key properties of N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine?
N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine has a molecular weight of 324.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-pyridinyl)-2-phenylsulfanylpyridin-3-amine is sourced from PubChem (CID 45035606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).