5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C23H29N3O6 — CID 55780754

IUPAC5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3cccnc3OC(C)C)CC2=O)cc(OC)c1OC
InChIInChI=1S/C23H29N3O6/c1-14(2)32-23-15(7-6-8-24-23)12-25-22(28)16-9-20(27)26(13-16)17-10-18(29-3)21(31-5)19(11-17)30-4/h6-8,10-11,14,16H,9,12-13H2,1-5H3,(H,25,28)
InChIKeyDLOWERLVWITWDL-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.56
Rot. Bonds9

About 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 55780754) has the molecular formula C23H29N3O6 and a molecular weight of 443.50 g/mol. Its IUPAC name is 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID55780754
Molecular FormulaC23H29N3O6
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Name5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3cccnc3OC(C)C)CC2=O)cc(OC)c1OC
InChIInChI=1S/C23H29N3O6/c1-14(2)32-23-15(7-6-8-24-23)12-25-22(28)16-9-20(27)26(13-16)17-10-18(29-3)21(31-5)19(11-17)30-4/h6-8,10-11,14,16H,9,12-13H2,1-5H3,(H,25,28)
InChIKeyDLOWERLVWITWDL-UHFFFAOYSA-N
XLogP2.56
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46417928
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 78982061
N-(furan-3-ylmethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55702367
1-(4-methoxyphenyl)-5-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 46401120
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55747251
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 47729955

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 55780754) is 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)NCc3cccnc3OC(C)C)CC2=O)cc(OC)c1OC.
What is the InChIKey of 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is DLOWERLVWITWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6/c1-14(2)32-23-15(7-6-8-24-23)12-25-22(28)16-9-20(27)26(13-16)17-10-18(29-3)21(31-5)19(11-17)30-4/h6-8,10-11,14,16H,9,12-13H2,1-5H3,(H,25,28).
What are the key properties of 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55780754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).