(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide

C23H28N4O5 — CID 42473597

IUPAC(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)nc3)CC2=O)c(OC)c1
InChIInChI=1S/C23H28N4O5/c1-30-18-4-5-19(20(12-18)31-2)27-15-17(11-22(27)28)23(29)25-14-16-3-6-21(24-13-16)26-7-9-32-10-8-26/h3-6,12-13,17H,7-11,14-15H2,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyXFUGMJQFFIHMSS-KRWDZBQOSA-N
MW440.50 g/mol
LogP1.60
Rot. Bonds7

About (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42473597) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42473597
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)nc3)CC2=O)c(OC)c1
InChIInChI=1S/C23H28N4O5/c1-30-18-4-5-19(20(12-18)31-2)27-15-17(11-22(27)28)23(29)25-14-16-3-6-21(24-13-16)26-7-9-32-10-8-26/h3-6,12-13,17H,7-11,14-15H2,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyXFUGMJQFFIHMSS-KRWDZBQOSA-N
XLogP1.60
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51149994
N-[(4-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55334367
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46487067
1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351420
1-(4-methoxyphenyl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122319052
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134040307
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55709901
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897
(3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92589248
1-(3-methoxyphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122318776

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 42473597) is (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCOCC4)nc3)CC2=O)c(OC)c1.
What is the InChIKey of (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XFUGMJQFFIHMSS-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-30-18-4-5-19(20(12-18)31-2)27-15-17(11-22(27)28)23(29)25-14-16-3-6-21(24-13-16)26-7-9-32-10-8-26/h3-6,12-13,17H,7-11,14-15H2,1-2H3,(H,25,29)/t17-/m0/s1.
What are the key properties of (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42473597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).