5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C26H27N3O6 — CID 55879064

IUPAC5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)Nc3ccc(OCc4ccccc4)nc3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C26H27N3O6/c1-32-21-12-20(13-22(33-2)25(21)34-3)29-15-18(11-24(29)30)26(31)28-19-9-10-23(27-14-19)35-16-17-7-5-4-6-8-17/h4-10,12-14,18H,11,15-16H2,1-3H3,(H,28,31)
InChIKeyIPMDSLGGZTVNRN-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.68
Rot. Bonds9

About 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 55879064) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID55879064
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)Nc3ccc(OCc4ccccc4)nc3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C26H27N3O6/c1-32-21-12-20(13-22(33-2)25(21)34-3)29-15-18(11-24(29)30)26(31)28-19-9-10-23(27-14-19)35-16-17-7-5-4-6-8-17/h4-10,12-14,18H,11,15-16H2,1-3H3,(H,28,31)
InChIKeyIPMDSLGGZTVNRN-UHFFFAOYSA-N
XLogP3.68
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 38002802
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55624339
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-(4-butylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55569865
N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780336
(3R)-N-(4-methylsulfonylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 30840186
5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 46586528
N-(6-methoxy-3-pyridinyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51143040
(3R)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 987488

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 55879064) is 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)Nc3ccc(OCc4ccccc4)nc3)CC2=O)cc(OC)c1OC.
What is the InChIKey of 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is IPMDSLGGZTVNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-32-21-12-20(13-22(33-2)25(21)34-3)29-15-18(11-24(29)30)26(31)28-19-9-10-23(27-14-19)35-16-17-7-5-4-6-8-17/h4-10,12-14,18H,11,15-16H2,1-3H3,(H,28,31).
What are the key properties of 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55879064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).