N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C18H24N4O5S — CID 55635201

IUPACN-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cn1
InChIInChI=1S/C18H24N4O5S/c1-21-13-15(28(24,25)22-7-3-4-8-22)11-16(21)18(23)20-14-5-6-17(19-12-14)27-10-9-26-2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,20,23)
InChIKeyRBAJGTYFRHSRHS-UHFFFAOYSA-N
MW408.48 g/mol
LogP1.48
Rot. Bonds8

About N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 55635201) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID55635201
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC NameN-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cn1
InChIInChI=1S/C18H24N4O5S/c1-21-13-15(28(24,25)22-7-3-4-8-22)11-16(21)18(23)20-14-5-6-17(19-12-14)27-10-9-26-2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,20,23)
InChIKeyRBAJGTYFRHSRHS-UHFFFAOYSA-N
XLogP1.48
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-methoxy-3-pyridinyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46411016
N-(4-chlorophenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 17399030
4-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-1-methylpyrrole-2-carboxamide
CID 53087324
N-(4-tert-butylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27873802
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 27896718
1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55854247
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
1-methyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 56577539
1-methyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55630703
N-(3-acetamidophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 46409717
1-methyl-N-[3-(propanoylamino)phenyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55573958
N-(3,5-dichlorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55631483

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 55635201) is N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is COCCOc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cn1.
What is the InChIKey of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is RBAJGTYFRHSRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-21-13-15(28(24,25)22-7-3-4-8-22)11-16(21)18(23)20-14-5-6-17(19-12-14)27-10-9-26-2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 55635201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).