N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H25N3O5 — CID 55800985

IUPACN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)C3CC(=O)N(c4cccc(OC)c4)C3)cn2)c1
InChIInChI=1S/C25H25N3O5/c1-31-20-6-3-5-19(12-20)28-16-18(11-24(28)29)25(30)27-15-17-9-10-23(26-14-17)33-22-8-4-7-21(13-22)32-2/h3-10,12-14,18H,11,15-16H2,1-2H3,(H,27,30)
InChIKeyLLIBVXVVLAGFTE-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.56
Rot. Bonds8

About N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55800985) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55800985
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)C3CC(=O)N(c4cccc(OC)c4)C3)cn2)c1
InChIInChI=1S/C25H25N3O5/c1-31-20-6-3-5-19(12-20)28-16-18(11-24(28)29)25(30)27-15-17-9-10-23(26-14-17)33-22-8-4-7-21(13-22)32-2/h3-10,12-14,18H,11,15-16H2,1-2H3,(H,27,30)
InChIKeyLLIBVXVVLAGFTE-UHFFFAOYSA-N
XLogP3.56
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800538
1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55800666
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46487067
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55747251
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55559152
1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55559017
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
N-[4-[[6-(3-methoxyphenoxy)-3-pyridinyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 55857997
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55800630
(2S,5R)-5-(aminomethyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide
CID 120797994

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55800985) is N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(Oc2ccc(CNC(=O)C3CC(=O)N(c4cccc(OC)c4)C3)cn2)c1.
What is the InChIKey of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LLIBVXVVLAGFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-31-20-6-3-5-19(12-20)28-16-18(11-24(28)29)25(30)27-15-17-9-10-23(26-14-17)33-22-8-4-7-21(13-22)32-2/h3-10,12-14,18H,11,15-16H2,1-2H3,(H,27,30).
What are the key properties of N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55800985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).