6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide

C26H29N5O2S2 — CID 142200515

IUPAC6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(CCCSSc1ccccn1)NC1CCC(NC(=O)c2ccc(-c3ccccn3)nc2)CC1
InChIInChI=1S/C26H29N5O2S2/c32-24(7-5-17-34-35-25-8-2-4-16-28-25)30-20-10-12-21(13-11-20)31-26(33)19-9-14-23(29-18-19)22-6-1-3-15-27-22/h1-4,6,8-9,14-16,18,20-21H,5,7,10-13,17H2,(H,30,32)(H,31,33)
InChIKeyMJRCWKFSOLZKGI-UHFFFAOYSA-N
MW507.69 g/mol
LogP4.92
Rot. Bonds10

About 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide

6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide (PubChem CID 142200515) has the molecular formula C26H29N5O2S2 and a molecular weight of 507.69 g/mol. Its IUPAC name is 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide
PubChem CID142200515
Molecular FormulaC26H29N5O2S2
Molecular Weight507.69 g/mol
Exact Mass507.18
IUPAC Name6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(CCCSSc1ccccn1)NC1CCC(NC(=O)c2ccc(-c3ccccn3)nc2)CC1
InChIInChI=1S/C26H29N5O2S2/c32-24(7-5-17-34-35-25-8-2-4-16-28-25)30-20-10-12-21(13-11-20)31-26(33)19-9-14-23(29-18-19)22-6-1-3-15-27-22/h1-4,6,8-9,14-16,18,20-21H,5,7,10-13,17H2,(H,30,32)(H,31,33)
InChIKeyMJRCWKFSOLZKGI-UHFFFAOYSA-N
XLogP4.92
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.69
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-3-(pyridin-2-yldisulfanyl)propanamide
CID 129099202
6-[3-(pyridin-2-yldisulfanyl)propanoylamino]hexanoic acid
CID 12795574
N-(4-amino-4-methyl-3-oxohexan-2-yl)-4-(pyridin-2-yldisulfanyl)butanamide
CID 166770333
N-(2-iodoethyl)-3-(pyridin-2-yldisulfanyl)propanamide
CID 143766978
6-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-3-carboxamide
CID 112731614
3-(pyridin-2-yldisulfanyl)-N-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethyl]propanamide
CID 156598931
N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 10361759
4-(pyridin-2-yltrisulfanyl)butanoic acid
CID 164606651
N-[6-oxo-8-(pyridin-2-yldisulfanyl)octyl]-3-(pyridin-2-yldisulfanyl)propanamide
CID 58435587
3-[[hydroxy-[3-(pyridin-2-yldisulfanyl)propyl]phosphoryl]amino]propanoic acid
CID 157222868
methyl 4-[3-(pyridin-2-yldisulfanyl)propanoylamino]butanoate
CID 129092686
6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide
CID 102089949

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide (CID 142200515) is 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide is O=C(CCCSSc1ccccn1)NC1CCC(NC(=O)c2ccc(-c3ccccn3)nc2)CC1.
What is the InChIKey of 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is MJRCWKFSOLZKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S2/c32-24(7-5-17-34-35-25-8-2-4-16-28-25)30-20-10-12-21(13-11-20)31-26(33)19-9-14-23(29-18-19)22-6-1-3-15-27-22/h1-4,6,8-9,14-16,18,20-21H,5,7,10-13,17H2,(H,30,32)(H,31,33).
What are the key properties of 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide?
6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 507.69 g/mol, XLogP of 4.92, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-N-[4-[4-(pyridin-2-yldisulfanyl)butanoylamino]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 142200515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).