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

C27H36N4O3 — CID 137464431

IUPAC2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cn(C)c(=O)c(OC)c4C)c(C(C)C)c3c2)CC1
InChIInChI=1S/C27H36N4O3/c1-16(2)24-20-13-19(18-9-11-31(12-10-18)15-23(32)28-4)7-8-22(20)29-25(24)21-14-30(5)27(33)26(34-6)17(21)3/h7-8,13-14,16,18,29H,9-12,15H2,1-6H3,(H,28,32)
InChIKeyKWGZUPLYWYIBQH-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.90
Rot. Bonds6

About 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

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 (PubChem CID 137464431) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
PubChem CID137464431
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Name2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(c2ccc3[nH]c(-c4cn(C)c(=O)c(OC)c4C)c(C(C)C)c3c2)CC1
InChIInChI=1S/C27H36N4O3/c1-16(2)24-20-13-19(18-9-11-31(12-10-18)15-23(32)28-4)7-8-22(20)29-25(24)21-14-30(5)27(33)26(34-6)17(21)3/h7-8,13-14,16,18,29H,9-12,15H2,1-6H3,(H,28,32)
InChIKeyKWGZUPLYWYIBQH-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)CN1CCC(c2ccc3[nH]c(-c4cn(C)c(=O)c(OC)c4C)c(C(C)C)c3c2)CC1.
What is the InChIKey of 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?
The InChIKey is KWGZUPLYWYIBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-16(2)24-20-13-19(18-9-11-31(12-10-18)15-23(32)28-4)7-8-22(20)29-25(24)21-14-30(5)27(33)26(34-6)17(21)3/h7-8,13-14,16,18,29H,9-12,15H2,1-6H3,(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 464.61 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137464431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).