2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide

C15H22N4O5S — CID 126825077

IUPAC2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H22N4O5S/c1-16-14(21)15(11-24-2)6-4-8-19(15)13(20)10-18-25(22,23)12-5-3-7-17-9-12/h3,5,7,9,18H,4,6,8,10-11H2,1-2H3,(H,16,21)
InChIKeyORYJUYZEQLKZRF-UHFFFAOYSA-N
MW370.43 g/mol
LogP-0.89
Rot. Bonds7

About 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide

2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide (PubChem CID 126825077) has the molecular formula C15H22N4O5S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide
PubChem CID126825077
Molecular FormulaC15H22N4O5S
Molecular Weight370.43 g/mol
Exact Mass370.13
IUPAC Name2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(COC)CCCN1C(=O)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C15H22N4O5S/c1-16-14(21)15(11-24-2)6-4-8-19(15)13(20)10-18-25(22,23)12-5-3-7-17-9-12/h3,5,7,9,18H,4,6,8,10-11H2,1-2H3,(H,16,21)
InChIKeyORYJUYZEQLKZRF-UHFFFAOYSA-N
XLogP-0.89
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-chloro-3-methoxyphenyl)acetyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
CID 126825078
1-(cyclopent-3-ene-1-carbonyl)-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
CID 154796380
N-[2-[(1S,5S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-azabicyclo[3.2.0]heptan-2-yl]-2-oxoethyl]pyridine-3-sulfonamide
CID 146112877
2-[2-(methoxymethyl)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-N-methylacetamide
CID 132776423
2-(methoxymethyl)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 154761342
1-methyl-N-pyridin-3-ylsulfonylcyclopropane-1-carboxamide
CID 139006914
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 120891925
1-[6-(difluoromethyl)pyrimidine-4-carbonyl]-2-(methoxymethyl)-N-methylpyrrolidine-2-carboxamide
CID 146140029
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-3-sulfonamide
CID 103835036
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]pyridine-3-sulfonamide
CID 91631326

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide (CID 126825077) is 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide is CNC(=O)C1(COC)CCCN1C(=O)CNS(=O)(=O)c1cccnc1.
What is the InChIKey of 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is ORYJUYZEQLKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O5S/c1-16-14(21)15(11-24-2)6-4-8-19(15)13(20)10-18-25(22,23)12-5-3-7-17-9-12/h3,5,7,9,18H,4,6,8,10-11H2,1-2H3,(H,16,21).
What are the key properties of 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide?
2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of -0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-methyl-1-[2-(pyridin-3-ylsulfonylamino)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126825077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).