[methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate

C18H21N3O4S — CID 167378570

IUPAC[methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate
SMILESCS(=O)(=O)NC(OC(=O)N1CCCC1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C18H21N3O4S/c1-26(23,24)20-17(25-18(22)21-12-5-6-13-21)16-11-7-10-15(19-16)14-8-3-2-4-9-14/h2-4,7-11,17,20H,5-6,12-13H2,1H3
InChIKeyRBDYKOBXCWVMLH-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.53
Rot. Bonds5

About [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate

[methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate (PubChem CID 167378570) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate
PubChem CID167378570
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name[methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate
SMILESCS(=O)(=O)NC(OC(=O)N1CCCC1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C18H21N3O4S/c1-26(23,24)20-17(25-18(22)21-12-5-6-13-21)16-11-7-10-15(19-16)14-8-3-2-4-9-14/h2-4,7-11,17,20H,5-6,12-13H2,1H3
InChIKeyRBDYKOBXCWVMLH-UHFFFAOYSA-N
XLogP2.53
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-6-[(1S)-1-pyrrolidin-1-ylethyl]pyridine
CID 11196080
azepan-1-yl-[4-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]phenyl]methanone
CID 125439003
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347396
5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(6-phenylpyridine-2-carbonyl)amino]pentanoic acid
CID 56668079
ethyl 3-amino-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 137470952
propan-2-yl (2R,3R)-2-[(6-phenyl-2-pyridinyl)methyl]-3-(2,2,2-trifluoroethylsulfonylamino)piperidine-1-carboxylate
CID 137460858
[methanesulfonamido-(1-pyrimidin-2-ylpiperidin-4-yl)oxymethyl] piperidine-1-carboxylate
CID 153483534
ethyl 4-[2-[benzyl(methyl)amino]-6-phenylpyridine-3-carbonyl]piperazine-1-carboxylate
CID 118758221
(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate
CID 151786501
ethyl 4-[5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-[(6-phenylpyridine-2-carbonyl)amino]pentanoyl]piperazine-1-carboxylate
CID 66651722
(1-ethoxycarbonylpiperidin-4-yl) 2-methyl-6-phenylpyridine-3-carboxylate
CID 71896452
tert-butyl 4-[3-[(2-methyl-6-phenylpyridine-3-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55736921

Frequently Asked Questions

What is the IUPAC name of [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate?
The IUPAC name of [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate (CID 167378570) is [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate is CS(=O)(=O)NC(OC(=O)N1CCCC1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate?
The InChIKey is RBDYKOBXCWVMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-26(23,24)20-17(25-18(22)21-12-5-6-13-21)16-11-7-10-15(19-16)14-8-3-2-4-9-14/h2-4,7-11,17,20H,5-6,12-13H2,1H3.
What are the key properties of [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate?
[methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methanesulfonamido-(6-phenyl-2-pyridinyl)methyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 167378570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).