N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide

C26H33N3O4 — CID 163639413

About N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide

N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide (PubChem CID 163639413) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide
• PubChem CID: 163639413
• Molecular Formula: C26H33N3O4
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.25
• IUPAC Name: N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide
• SMILES: COc1cc(C)n(C)c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCOCC2)c2ccccc12
• InChI: InChI=1S/C26H33N3O4/c1-16-14-23(32-5)21(26(31)28(16)4)15-27-25(30)24-18(3)29(22-9-7-6-8-20(22)24)17(2)19-10-12-33-13-11-19/h6-9,14,17,19H,10-13,15H2,1-5H3,(H,27,30)
• InChIKey: ICXRNRKHLUHELN-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 74.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide?

The IUPAC name of N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide (CID 163639413) is N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide.

What is the SMILES notation for N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide?

The canonical SMILES for N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide is COc1cc(C)n(C)c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCOCC2)c2ccccc12.

What is the InChIKey of N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide?

The InChIKey is ICXRNRKHLUHELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-16-14-23(32-5)21(26(31)28(16)4)15-27-25(30)24-18(3)29(22-9-7-6-8-20(22)24)17(2)19-10-12-33-13-11-19/h6-9,14,17,19H,10-13,15H2,1-5H3,(H,27,30).

What are the key properties of N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide?

N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methyl-1-[1-(oxan-4-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 163639413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).