N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C24H29N3O4 — CID 55659080

IUPACN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NCc2ccnc(OC3CCCC3)c2)CC1=O
InChIInChI=1S/C24H29N3O4/c1-2-30-21-10-6-5-9-20(21)27-16-18(14-23(27)28)24(29)26-15-17-11-12-25-22(13-17)31-19-7-3-4-8-19/h5-6,9-13,18-19H,2-4,7-8,14-16H2,1H3,(H,26,29)
InChIKeyKVVVHRNLGRFASP-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.47
Rot. Bonds8

About N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55659080) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55659080
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NCc2ccnc(OC3CCCC3)c2)CC1=O
InChIInChI=1S/C24H29N3O4/c1-2-30-21-10-6-5-9-20(21)27-16-18(14-23(27)28)24(29)26-15-17-11-12-25-22(13-17)31-19-7-3-4-8-19/h5-6,9-13,18-19H,2-4,7-8,14-16H2,1H3,(H,26,29)
InChIKeyKVVVHRNLGRFASP-UHFFFAOYSA-N
XLogP3.47
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798
1-(2-ethoxyphenyl)-N-[(3-fluoro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24553269
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55679309
N-[(2-ethoxy-4-pyridinyl)methyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55707851
1-(2-ethoxyphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 134023136
1-(2-ethoxyphenyl)-5-oxo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 24571415
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 30182120
1-(2-ethoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 51154516
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55709901
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 94170855
1-(2-ethoxyphenyl)-5-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 51181913

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55659080) is N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NCc2ccnc(OC3CCCC3)c2)CC1=O.
What is the InChIKey of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KVVVHRNLGRFASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-2-30-21-10-6-5-9-20(21)27-16-18(14-23(27)28)24(29)26-15-17-11-12-25-22(13-17)31-19-7-3-4-8-19/h5-6,9-13,18-19H,2-4,7-8,14-16H2,1H3,(H,26,29).
What are the key properties of N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55659080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).