2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide

C20H31N3O2S — CID 94647153

IUPAC2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN([C@@H](C)CNC(=O)c2cccnc2SC2CCCC2)C[C@@H](C)O1
InChIInChI=1S/C20H31N3O2S/c1-14(23-12-15(2)25-16(3)13-23)11-22-19(24)18-9-6-10-21-20(18)26-17-7-4-5-8-17/h6,9-10,14-17H,4-5,7-8,11-13H2,1-3H3,(H,22,24)/t14-,15+,16+/m0/s1
InChIKeyXDJOQCSIRTVNFD-ARFHVFGLSA-N
MW377.55 g/mol
LogP3.34
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide (PubChem CID 94647153) has the molecular formula C20H31N3O2S and a molecular weight of 377.55 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide
PubChem CID94647153
Molecular FormulaC20H31N3O2S
Molecular Weight377.55 g/mol
Exact Mass377.21
IUPAC Name2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide
SMILESC[C@@H]1CN([C@@H](C)CNC(=O)c2cccnc2SC2CCCC2)C[C@@H](C)O1
InChIInChI=1S/C20H31N3O2S/c1-14(23-12-15(2)25-16(3)13-23)11-22-19(24)18-9-6-10-21-20(18)26-17-7-4-5-8-17/h6,9-10,14-17H,4-5,7-8,11-13H2,1-3H3,(H,22,24)/t14-,15+,16+/m0/s1
InChIKeyXDJOQCSIRTVNFD-ARFHVFGLSA-N
XLogP3.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 98718599
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-2-carboxamide
CID 98718393
2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 46413957
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 42958335
2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 56518163
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 99845318
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 51953591
(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 51966370
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-hydroxy-5-methylbenzamide
CID 46414109
2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 55884002
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51114092

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide (CID 94647153) is 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide is C[C@@H]1CN([C@@H](C)CNC(=O)c2cccnc2SC2CCCC2)C[C@@H](C)O1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide?
The InChIKey is XDJOQCSIRTVNFD-ARFHVFGLSA-N. The full InChI is InChI=1S/C20H31N3O2S/c1-14(23-12-15(2)25-16(3)13-23)11-22-19(24)18-9-6-10-21-20(18)26-17-7-4-5-8-17/h6,9-10,14-17H,4-5,7-8,11-13H2,1-3H3,(H,22,24)/t14-,15+,16+/m0/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide has a molecular weight of 377.55 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 94647153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).