(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C18H21N3OS — CID 94156095

IUPAC(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C18H21N3OS/c1-2-23-17-8-4-3-6-15(17)20-18(22)21-13-5-7-16(21)14-9-11-19-12-10-14/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyGSIJSKTVTHNDRG-MRXNPFEDSA-N
MW327.45 g/mol
LogP4.56
Rot. Bonds4

About (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 94156095) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID94156095
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCCSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccncc1
InChIInChI=1S/C18H21N3OS/c1-2-23-17-8-4-3-6-15(17)20-18(22)21-13-5-7-16(21)14-9-11-19-12-10-14/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyGSIJSKTVTHNDRG-MRXNPFEDSA-N
XLogP4.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
(2R)-N-(2,5-diethylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124731980
N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87010188
N-[4-(difluoromethylsulfanyl)phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71941798
(2R)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94031024
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51118900
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 95326985
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028
N-(4-hydroxy-1-phenylbutyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 111456100

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 94156095) is (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is CCSc1ccccc1NC(=O)N1CCC[C@@H]1c1ccncc1.
What is the InChIKey of (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is GSIJSKTVTHNDRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-2-23-17-8-4-3-6-15(17)20-18(22)21-13-5-7-16(21)14-9-11-19-12-10-14/h3-4,6,8-12,16H,2,5,7,13H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94156095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).