6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile

C15H24N4O4S — CID 59847379

IUPAC6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
SMILESCOCCCNc1nc(NCCS(=O)(=O)CCO)cc(C)c1C#N
InChIInChI=1S/C15H24N4O4S/c1-12-10-14(17-5-8-24(21,22)9-6-20)19-15(13(12)11-16)18-4-3-7-23-2/h10,20H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyYPFWJFMPBHTXAL-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.53
Rot. Bonds11

About 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile

6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile (PubChem CID 59847379) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
PubChem CID59847379
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
SMILESCOCCCNc1nc(NCCS(=O)(=O)CCO)cc(C)c1C#N
InChIInChI=1S/C15H24N4O4S/c1-12-10-14(17-5-8-24(21,22)9-6-20)19-15(13(12)11-16)18-4-3-7-23-2/h10,20H,3-9H2,1-2H3,(H2,17,18,19)
InChIKeyYPFWJFMPBHTXAL-UHFFFAOYSA-N
XLogP0.53
TPSA124.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[3-cyano-4-methyl-6-(2-sulfooxyethylamino)-2-pyridinyl]amino]ethylsulfonyl]ethyl hydrogen sulfate
CID 89226456
2-[2-[[5-amino-6-[2-(2-hydroxyethylsulfonyl)ethylamino]-4-methyl-2-pyridinyl]amino]ethylsulfonyl]ethanol
CID 71220747
6-[[(E)-3-methoxyprop-1-enyl]amino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile
CID 163940505
2-[2-[[5-cyano-4-methyl-6-[2-(trioxidanylsulfanyloxy)ethylamino]-2-pyridinyl]amino]ethylsulfonyl]ethyl hydrogen sulfate
CID 59847316
2,6-bis[2-(dimethylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 46927197
2-[2-[[6-(3-methoxypropylamino)-4-methyl-2-pyridinyl]-methylamino]ethylsulfonyl]ethyl hydrogen sulfate
CID 59847282
2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile
CID 59865318
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
2-chloro-6-[2-(2-hydroxyethylsulfanyl)ethylamino]-4-methylpyridine-3-carbonitrile;6-chloro-2-[2-(2-hydroxyethylsulfanyl)ethylamino]-4-methylpyridine-3-carbonitrile
CID 157119840
3-[[4-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzenesulfonic acid
CID 140626243
2-[[5-cyano-6-[2-hydroxyethyl(2-methoxyethyl)amino]-3,4-dimethyl-2-pyridinyl]amino]ethanesulfonic acid
CID 21022672
N-(2-methoxyethyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109364804

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile (CID 59847379) is 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile is COCCCNc1nc(NCCS(=O)(=O)CCO)cc(C)c1C#N.
What is the InChIKey of 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile?
The InChIKey is YPFWJFMPBHTXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-12-10-14(17-5-8-24(21,22)9-6-20)19-15(13(12)11-16)18-4-3-7-23-2/h10,20H,3-9H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile?
6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile has a molecular weight of 356.45 g/mol, XLogP of 0.53, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethylsulfonyl)ethylamino]-2-(3-methoxypropylamino)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 59847379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).