5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane

C20H28N6O5S — CID 171818187

IUPAC5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane
SMILESCC.CSc1ncc(C(=O)NCCC(=O)NCC(=O)NCC(=O)NCC(C)=O)cc1C#N
InChIInChI=1S/C18H22N6O5S.C2H6/c1-11(25)7-21-15(27)10-23-16(28)9-22-14(26)3-4-20-17(29)13-5-12(6-19)18(30-2)24-8-13;1-2/h5,8H,3-4,7,9-10H2,1-2H3,(H,20,29)(H,21,27)(H,22,26)(H,23,28);1-2H3
InChIKeyRKALMMXVBUMHQK-UHFFFAOYSA-N
MW464.55 g/mol
LogP-0.24
Rot. Bonds11

About 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane

5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane (PubChem CID 171818187) has the molecular formula C20H28N6O5S and a molecular weight of 464.55 g/mol. Its IUPAC name is 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane
PubChem CID171818187
Molecular FormulaC20H28N6O5S
Molecular Weight464.55 g/mol
Exact Mass464.18
IUPAC Name5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane
SMILESCC.CSc1ncc(C(=O)NCCC(=O)NCC(=O)NCC(=O)NCC(C)=O)cc1C#N
InChIInChI=1S/C18H22N6O5S.C2H6/c1-11(25)7-21-15(27)10-23-16(28)9-22-14(26)3-4-20-17(29)13-5-12(6-19)18(30-2)24-8-13;1-2/h5,8H,3-4,7,9-10H2,1-2H3,(H,20,29)(H,21,27)(H,22,26)(H,23,28);1-2H3
InChIKeyRKALMMXVBUMHQK-UHFFFAOYSA-N
XLogP-0.24
TPSA170.15 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane with MolForge

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Related Compounds

tert-butyl 3-[(5-cyano-6-methylsulfonylpyridine-3-carbonyl)amino]propanoate
CID 171804902
5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 115590920
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370348
2-[(2-methylsulfanylacetyl)amino]-N-(3-oxobutyl)acetamide
CID 170359661
2-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 113228858
6-amino-N-[3-(ethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 113411051
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 62176334
4-cyano-3-fluoro-N-propylbenzamide
CID 91191816
2,6-dichloro-N-[3-oxo-3-(propylamino)propyl]pyridine-4-carboxamide
CID 61149972
ethane;methyl 5-cyano-6-methylpyridine-3-carboxylate
CID 164905739
2-[(2-methylsulfanylacetyl)amino]-N-(2-oxopropyl)acetamide
CID 170359660

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane?
The IUPAC name of 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane (CID 171818187) is 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane.
What is the SMILES notation for 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane?
The canonical SMILES for 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane is CC.CSc1ncc(C(=O)NCCC(=O)NCC(=O)NCC(=O)NCC(C)=O)cc1C#N.
What is the InChIKey of 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane?
The InChIKey is RKALMMXVBUMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O5S.C2H6/c1-11(25)7-21-15(27)10-23-16(28)9-22-14(26)3-4-20-17(29)13-5-12(6-19)18(30-2)24-8-13;1-2/h5,8H,3-4,7,9-10H2,1-2H3,(H,20,29)(H,21,27)(H,22,26)(H,23,28);1-2H3.
What are the key properties of 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane?
5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane has a molecular weight of 464.55 g/mol, XLogP of -0.24, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-methylsulfanyl-N-[3-oxo-3-[[2-oxo-2-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]ethyl]amino]propyl]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 171818187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).