4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide

C22H23N3O2S — CID 99877599

IUPAC4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCO[C@@H]1CCN(c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)C1
InChIInChI=1S/C22H23N3O2S/c1-27-21-6-8-25(14-21)20-4-2-17(3-5-20)22(26)24-12-16-10-19(13-23-11-16)18-7-9-28-15-18/h2-5,7,9-11,13,15,21H,6,8,12,14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyKQQOCJPQPQOOGZ-OAQYLSRUSA-N
MW393.51 g/mol
LogP3.97
Rot. Bonds6

About 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide

4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide (PubChem CID 99877599) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
PubChem CID99877599
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCO[C@@H]1CCN(c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)C1
InChIInChI=1S/C22H23N3O2S/c1-27-21-6-8-25(14-21)20-4-2-17(3-5-20)22(26)24-12-16-10-19(13-23-11-16)18-7-9-28-15-18/h2-5,7,9-11,13,15,21H,6,8,12,14H2,1H3,(H,24,26)/t21-/m1/s1
InChIKeyKQQOCJPQPQOOGZ-OAQYLSRUSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide with MolForge

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
4-(3-methoxyphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627858
N-[(2-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)benzamide
CID 91813629
(3S)-1-(4-methoxyphenyl)-5-oxo-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 99877540
3-fluoro-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627943
4-[(3S)-3-methoxypyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 99874398
N-[2-(4-fluorophenyl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 99874395
2-cyclopentylsulfanyl-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]acetamide
CID 90627949
N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]-4-thiophen-3-ylbenzamide
CID 91624832
(1S)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 99877543
N-[(5-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-3-carboxamide
CID 90627962

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide (CID 99877599) is 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide is CO[C@@H]1CCN(c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)C1.
What is the InChIKey of 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is KQQOCJPQPQOOGZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-27-21-6-8-25(14-21)20-4-2-17(3-5-20)22(26)24-12-16-10-19(13-23-11-16)18-7-9-28-15-18/h2-5,7,9-11,13,15,21H,6,8,12,14H2,1H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 393.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 99877599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).