4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide

C26H26ClN3O4 — CID 169319354

IUPAC4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
SMILESCCn1ccc(C)c(N2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)c3ccc(Cl)cc3)C2=O)c1=O
InChIInChI=1S/C26H26ClN3O4/c1-4-29-14-13-16(2)23(26(29)33)30-15-21(17-7-11-20(34-3)12-8-17)22(25(30)32)28-24(31)18-5-9-19(27)10-6-18/h5-14,21-22H,4,15H2,1-3H3,(H,28,31)/t21-,22-/m0/s1
InChIKeyGMMCLWGBYVAPIG-VXKWHMMOSA-N
MW479.96 g/mol
LogP3.77
Rot. Bonds6

About 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide

4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319354) has the molecular formula C26H26ClN3O4 and a molecular weight of 479.96 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
PubChem CID169319354
Molecular FormulaC26H26ClN3O4
Molecular Weight479.96 g/mol
Exact Mass479.16
IUPAC Name4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
SMILESCCn1ccc(C)c(N2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)c3ccc(Cl)cc3)C2=O)c1=O
InChIInChI=1S/C26H26ClN3O4/c1-4-29-14-13-16(2)23(26(29)33)30-15-21(17-7-11-20(34-3)12-8-17)22(25(30)32)28-24(31)18-5-9-19(27)10-6-18/h5-14,21-22H,4,15H2,1-3H3,(H,28,31)/t21-,22-/m0/s1
InChIKeyGMMCLWGBYVAPIG-VXKWHMMOSA-N
XLogP3.77
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.96
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide (CID 169319354) is 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide is CCn1ccc(C)c(N2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)c3ccc(Cl)cc3)C2=O)c1=O.
What is the InChIKey of 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is GMMCLWGBYVAPIG-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H26ClN3O4/c1-4-29-14-13-16(2)23(26(29)33)30-15-21(17-7-11-20(34-3)12-8-17)22(25(30)32)28-24(31)18-5-9-19(27)10-6-18/h5-14,21-22H,4,15H2,1-3H3,(H,28,31)/t21-,22-/m0/s1.
What are the key properties of 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 479.96 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).