N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide

C29H38N4O4 — CID 123202495

About N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123202495) has the molecular formula C29H38N4O4 and a molecular weight of 506.65 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
• PubChem CID: 123202495
• Molecular Formula: C29H38N4O4
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.29
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(CC3COC3)CC2)c2ccccc12
• InChI: InChI=1S/C29H38N4O4/c1-18-13-26(36-4)24(28(34)31-18)14-30-29(35)27-20(3)33(25-8-6-5-7-23(25)27)19(2)22-9-11-32(12-10-22)15-21-16-37-17-21/h5-8,13,19,21-22H,9-12,14-17H2,1-4H3,(H,30,35)(H,31,34)
• InChIKey: CPBLZRKPEREICJ-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 88.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?

The IUPAC name of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123202495) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide.

What is the SMILES notation for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(CC3COC3)CC2)c2ccccc12.

What is the InChIKey of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?

The InChIKey is CPBLZRKPEREICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O4/c1-18-13-26(36-4)24(28(34)31-18)14-30-29(35)27-20(3)33(25-8-6-5-7-23(25)27)19(2)22-9-11-32(12-10-22)15-21-16-37-17-21/h5-8,13,19,21-22H,9-12,14-17H2,1-4H3,(H,30,35)(H,31,34).

What are the key properties of N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide?

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(oxetan-3-ylmethyl)piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123202495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).