4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide

C10H13N3O3S2 — CID 88563057

IUPAC4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide
SMILESCC(CCC(N)=O)SSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N3O3S2/c1-7(2-4-9(11)14)17-18-10-5-3-8(6-12-10)13(15)16/h3,5-7H,2,4H2,1H3,(H2,11,14)
InChIKeySITMFNICIUKZDR-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.38
Rot. Bonds7

About 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide

4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide (PubChem CID 88563057) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide.

Molecular Properties

Compound Name4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide
PubChem CID88563057
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide
SMILESCC(CCC(N)=O)SSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N3O3S2/c1-7(2-4-9(11)14)17-18-10-5-3-8(6-12-10)13(15)16/h3,5-7H,2,4H2,1H3,(H2,11,14)
InChIKeySITMFNICIUKZDR-UHFFFAOYSA-N
XLogP2.38
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoic acid
CID 22382883
(3R)-3-[(5-nitro-2-pyridinyl)disulfanyl]butan-1-ol
CID 126748954
2-[(5-nitro-2-pyridinyl)disulfanyl]propan-1-amine
CID 118938615
(2,5-dioxopyrrolidin-1-yl) (4R)-4-[(5-nitro-2-pyridinyl)disulfanyl]pentanoate
CID 124526969
2-[(5-nitro-2-pyridinyl)disulfanyl]propyl N-(4-ethylphenyl)carbamate
CID 129070867
2-(ethyldisulfanyl)-5-nitropyridine
CID 58752642
3-[(5-nitro-2-pyridinyl)disulfanyl]butan-2-yl carbonochloridate;1-[(5-nitro-2-pyridinyl)disulfanyl]propan-2-yl carbonochloridate
CID 135304096
5-nitro-2-[(4-propan-2-ylphenyl)methyldisulfanyl]pyridine
CID 23624880
[1-[(5-nitro-2-pyridinyl)disulfanyl]cyclopropyl]methyl acetate
CID 145294986
2-[(5-nitro-2-pyridinyl)sulfanyl]ethyl acetate
CID 143226129
chloro 3-[(5-nitro-2-pyridinyl)disulfanyl]propanoate
CID 135304033
ethane;2-methylsulfanyl-5-nitropyridine
CID 142860412

Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide?
The IUPAC name of 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide (CID 88563057) is 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide.
What is the SMILES notation for 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide?
The canonical SMILES for 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide is CC(CCC(N)=O)SSc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide?
The InChIKey is SITMFNICIUKZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-7(2-4-9(11)14)17-18-10-5-3-8(6-12-10)13(15)16/h3,5-7H,2,4H2,1H3,(H2,11,14).
What are the key properties of 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide?
4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide has a molecular weight of 287.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitro-2-pyridinyl)disulfanyl]pentanamide is sourced from PubChem (CID 88563057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).