(4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile

C17H20N6OS — CID 139987548

IUPAC(4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#Cc1cccnc1N1CCC(NCC(=O)N2CSC[C@H]2C#N)CC1
InChIInChI=1S/C17H20N6OS/c18-8-13-2-1-5-20-17(13)22-6-3-14(4-7-22)21-10-16(24)23-12-25-11-15(23)9-19/h1-2,5,14-15,21H,3-4,6-7,10-12H2/t15-/m1/s1
InChIKeyJIPLEZLNYYPQBW-OAHLLOKOSA-N
MW356.46 g/mol
LogP0.94
Rot. Bonds4

About (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile

(4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile (PubChem CID 139987548) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile
PubChem CID139987548
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name(4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile
SMILESN#Cc1cccnc1N1CCC(NCC(=O)N2CSC[C@H]2C#N)CC1
InChIInChI=1S/C17H20N6OS/c18-8-13-2-1-5-20-17(13)22-6-3-14(4-7-22)21-10-16(24)23-12-25-11-15(23)9-19/h1-2,5,14-15,21H,3-4,6-7,10-12H2/t15-/m1/s1
InChIKeyJIPLEZLNYYPQBW-OAHLLOKOSA-N
XLogP0.94
TPSA96.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile with MolForge

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Related Compounds

2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 115307500
(4R)-3-[2-(spiro[5.5]undecan-3-ylamino)acetyl]-1,3-thiazolidine-4-carbonitrile
CID 11631155
(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490147
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 91796252
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]oxamide
CID 73167597
N'-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-N-ethyloxamide
CID 121107725
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
CID 125444340
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 131912368

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile?
The IUPAC name of (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile (CID 139987548) is (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile is N#Cc1cccnc1N1CCC(NCC(=O)N2CSC[C@H]2C#N)CC1.
What is the InChIKey of (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile?
The InChIKey is JIPLEZLNYYPQBW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N6OS/c18-8-13-2-1-5-20-17(13)22-6-3-14(4-7-22)21-10-16(24)23-12-25-11-15(23)9-19/h1-2,5,14-15,21H,3-4,6-7,10-12H2/t15-/m1/s1.
What are the key properties of (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile?
(4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile has a molecular weight of 356.46 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]amino]acetyl]-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 139987548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).