N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide

C27H36N4O3 — CID 138689030

IUPACN-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(Oc2ccc3[nH]c(-c4cn(C)c(=O)c(C)c4C)c(C(C)C)c3c2)CC1
InChIInChI=1S/C27H36N4O3/c1-16(2)25-21-13-20(34-19-9-11-31(12-10-19)15-24(32)28-5)7-8-23(21)29-26(25)22-14-30(6)27(33)18(4)17(22)3/h7-8,13-14,16,19,29H,9-12,15H2,1-6H3,(H,28,32)
InChIKeyAOLFVCUHYGWNKE-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.86
Rot. Bonds6

About N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide

N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide (PubChem CID 138689030) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide
PubChem CID138689030
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide
SMILESCNC(=O)CN1CCC(Oc2ccc3[nH]c(-c4cn(C)c(=O)c(C)c4C)c(C(C)C)c3c2)CC1
InChIInChI=1S/C27H36N4O3/c1-16(2)25-21-13-20(34-19-9-11-31(12-10-19)15-24(32)28-5)7-8-23(21)29-26(25)22-14-30(6)27(33)18(4)17(22)3/h7-8,13-14,16,19,29H,9-12,15H2,1-6H3,(H,28,32)
InChIKeyAOLFVCUHYGWNKE-UHFFFAOYSA-N
XLogP3.86
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide with MolForge

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Related Compounds

2-[4-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]oxy]piperidin-1-yl]-N-methylacetamide
CID 138688605
2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 137464431
5-[5-(azetidin-3-ylmethyl)-3-propan-2-yl-1H-indol-2-yl]-1,3,4-trimethylpyridin-2-one
CID 154639401
2-[4-[2-(1,6-dimethyl-7-oxopyrrolo[2,3-c]pyridin-4-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 170760467
2-[4-[2-(5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464429
2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide
CID 154639603
1,3,4-trimethyl-5-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 160614655
5-[5-(1-butylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-3-chloro-1,4-dimethylpyridin-2-one
CID 137464302
3-[3-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]methyl]azetidin-1-yl]propane-1-sulfinate
CID 155142335
3-chloro-1,4-dimethyl-5-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 137464442
2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594665

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide (CID 138689030) is N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide is CNC(=O)CN1CCC(Oc2ccc3[nH]c(-c4cn(C)c(=O)c(C)c4C)c(C(C)C)c3c2)CC1.
What is the InChIKey of N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide?
The InChIKey is AOLFVCUHYGWNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-16(2)25-21-13-20(34-19-9-11-31(12-10-19)15-24(32)28-5)7-8-23(21)29-26(25)22-14-30(6)27(33)18(4)17(22)3/h7-8,13-14,16,19,29H,9-12,15H2,1-6H3,(H,28,32).
What are the key properties of N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide?
N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide has a molecular weight of 464.61 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[3-propan-2-yl-2-(1,4,5-trimethyl-6-oxo-3-pyridinyl)-1H-indol-5-yl]oxy]piperidin-1-yl]acetamide is sourced from PubChem (CID 138689030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).