(2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H32N4O3 — CID 97259219

IUPAC(2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)cn1
InChIInChI=1S/C25H32N4O3/c1-4-28(5-2)22-12-9-17(15-26-22)16-27-25(31)21-14-23(30)29(19-10-11-19)24(21)18-7-6-8-20(13-18)32-3/h6-9,12-13,15,19,21,24H,4-5,10-11,14,16H2,1-3H3,(H,27,31)/t21-,24+/m0/s1
InChIKeyFTXRPSLLXAKINO-XUZZJYLKSA-N
MW436.56 g/mol
LogP3.30
Rot. Bonds9

About (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97259219) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97259219
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name(2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)cn1
InChIInChI=1S/C25H32N4O3/c1-4-28(5-2)22-12-9-17(15-26-22)16-27-25(31)21-14-23(30)29(19-10-11-19)24(21)18-7-6-8-20(13-18)32-3/h6-9,12-13,15,19,21,24H,4-5,10-11,14,16H2,1-3H3,(H,27,31)/t21-,24+/m0/s1
InChIKeyFTXRPSLLXAKINO-XUZZJYLKSA-N
XLogP3.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-1-cyclopropyl-2-(3-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 97259157
(3R)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94171902
(1S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51953637
(3R,4S)-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 93020648
(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633158
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800538
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 110087625
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800985
(2R,3R)-1-(2-methoxyethyl)-2-(3-methoxyphenyl)-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110087619
1-(2-ethylphenyl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55800666
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55559152
2-cyclopropyl-3-(3-methoxyphenyl)-1-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 46113377

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 97259219) is (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(CNC(=O)[C@H]2CC(=O)N(C3CC3)[C@@H]2c2cccc(OC)c2)cn1.
What is the InChIKey of (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FTXRPSLLXAKINO-XUZZJYLKSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-4-28(5-2)22-12-9-17(15-26-22)16-27-25(31)21-14-23(30)29(19-10-11-19)24(21)18-7-6-8-20(13-18)32-3/h6-9,12-13,15,19,21,24H,4-5,10-11,14,16H2,1-3H3,(H,27,31)/t21-,24+/m0/s1.
What are the key properties of (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-cyclopropyl-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97259219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).