4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile

C15H21N3OS2 — CID 118050425

IUPAC4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile
SMILESCCCSCSc1nc(N2CCOCC2)cc(C)c1C#N
InChIInChI=1S/C15H21N3OS2/c1-3-8-20-11-21-15-13(10-16)12(2)9-14(17-15)18-4-6-19-7-5-18/h9H,3-8,11H2,1-2H3
InChIKeyQNRZCMUVVPZTKC-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.29
Rot. Bonds6

About 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile

4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile (PubChem CID 118050425) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile
PubChem CID118050425
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile
SMILESCCCSCSc1nc(N2CCOCC2)cc(C)c1C#N
InChIInChI=1S/C15H21N3OS2/c1-3-8-20-11-21-15-13(10-16)12(2)9-14(17-15)18-4-6-19-7-5-18/h9H,3-8,11H2,1-2H3
InChIKeyQNRZCMUVVPZTKC-UHFFFAOYSA-N
XLogP3.29
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287463
4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
CID 703070
4,6-dimethyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166601275
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 31235022
2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
CID 116862851
2-ethylsulfanyl-N-heptyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286966
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile
CID 53369726
6-[2-methyl-5-(propylsulfanylamino)anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 166795668
2-methyl-6-morpholin-4-ylpyridine-3-carbonitrile
CID 102544178
4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine
CID 14397680
2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963160
4-methyl-2-(3-methylpentan-3-yl)-6-(4-methylpiperazin-1-yl)pyridine-3-carbonitrile
CID 143194383

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile (CID 118050425) is 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile is CCCSCSc1nc(N2CCOCC2)cc(C)c1C#N.
What is the InChIKey of 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is QNRZCMUVVPZTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-3-8-20-11-21-15-13(10-16)12(2)9-14(17-15)18-4-6-19-7-5-18/h9H,3-8,11H2,1-2H3.
What are the key properties of 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile?
4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 323.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-morpholin-4-yl-2-(propylsulfanylmethylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118050425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).