N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide

C11H17N3OS2 — CID 163545247

IUPACN-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCSSCCN
InChIInChI=1S/C11H17N3OS2/c1-9-3-2-5-13-10(9)11(15)14-6-8-17-16-7-4-12/h2-3,5H,4,6-8,12H2,1H3,(H,14,15)
InChIKeyFEMNSRKYLIVPCV-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.46
Rot. Bonds7

About N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide

N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide (PubChem CID 163545247) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide
PubChem CID163545247
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC NameN-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCSSCCN
InChIInChI=1S/C11H17N3OS2/c1-9-3-2-5-13-10(9)11(15)14-6-8-17-16-7-4-12/h2-3,5H,4,6-8,12H2,1H3,(H,14,15)
InChIKeyFEMNSRKYLIVPCV-UHFFFAOYSA-N
XLogP1.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
8-[(3-methylpyridine-2-carbonyl)amino]octanoic acid
CID 120535627
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
N-(2-azidoethyl)-3-methylpyridine-2-carboxamide
CID 55210380
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpyridine-2-carboxamide
CID 62339830
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
CID 113358708
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide (CID 163545247) is N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCCSSCCN.
What is the InChIKey of N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide?
The InChIKey is FEMNSRKYLIVPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-9-3-2-5-13-10(9)11(15)14-6-8-17-16-7-4-12/h2-3,5H,4,6-8,12H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide?
N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide has a molecular weight of 271.41 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyldisulfanyl)ethyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 163545247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).