ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate

C28H36N4O5 — CID 126639379

IUPACethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(Cn2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1
InChIInChI=1S/C28H36N4O5/c1-5-37-25(33)17-31-12-10-20(11-13-31)16-32-19(3)26(21-8-6-7-9-23(21)32)28(35)29-15-22-24(36-4)14-18(2)30-27(22)34/h6-9,14,20H,5,10-13,15-17H2,1-4H3,(H,29,35)(H,30,34)
InChIKeyLKPMZTZGNXFNKZ-UHFFFAOYSA-N
MW508.62 g/mol
LogP3.16
Rot. Bonds9

About ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate

ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate (PubChem CID 126639379) has the molecular formula C28H36N4O5 and a molecular weight of 508.62 g/mol. Its IUPAC name is ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate
PubChem CID126639379
Molecular FormulaC28H36N4O5
Molecular Weight508.62 g/mol
Exact Mass508.27
IUPAC Nameethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(Cn2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1
InChIInChI=1S/C28H36N4O5/c1-5-37-25(33)17-31-12-10-20(11-13-31)16-32-19(3)26(21-8-6-7-9-23(21)32)28(35)29-15-22-24(36-4)14-18(2)30-27(22)34/h6-9,14,20H,5,10-13,15-17H2,1-4H3,(H,29,35)(H,30,34)
InChIKeyLKPMZTZGNXFNKZ-UHFFFAOYSA-N
XLogP3.16
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate (CID 126639379) is ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate is CCOC(=O)CN1CCC(Cn2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1.
What is the InChIKey of ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate?
The InChIKey is LKPMZTZGNXFNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O5/c1-5-37-25(33)17-31-12-10-20(11-13-31)16-32-19(3)26(21-8-6-7-9-23(21)32)28(35)29-15-22-24(36-4)14-18(2)30-27(22)34/h6-9,14,20H,5,10-13,15-17H2,1-4H3,(H,29,35)(H,30,34).
What are the key properties of ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate?
ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate has a molecular weight of 508.62 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 126639379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).