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

C31H37N5O5 — CID 123998476

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123998476) has the molecular formula C31H37N5O5 and a molecular weight of 559.67 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]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-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]piperidin-4-yl]ethyl]indole-3-carboxamide
• PubChem CID: 123998476
• Molecular Formula: C31H37N5O5
• Molecular Weight: 559.67 g/mol
• Exact Mass: 559.28
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]piperidin-4-yl]ethyl]indole-3-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)Cc3nocc3C)CC2)c2ccccc12
• InChI: InChI=1S/C31H37N5O5/c1-18-17-41-34-25(18)15-28(37)35-12-10-22(11-13-35)20(3)36-21(4)29(23-8-6-7-9-26(23)36)31(39)32-16-24-27(40-5)14-19(2)33-30(24)38/h6-9,14,17,20,22H,10-13,15-16H2,1-5H3,(H,32,39)(H,33,38)
• InChIKey: GQMACRADRLLAFN-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 122.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.67
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]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-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123998476) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]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-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]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-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)Cc3nocc3C)CC2)c2ccccc12.

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

The InChIKey is GQMACRADRLLAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O5/c1-18-17-41-34-25(18)15-28(37)35-12-10-22(11-13-35)20(3)36-21(4)29(23-8-6-7-9-26(23)36)31(39)32-16-24-27(40-5)14-19(2)33-30(24)38/h6-9,14,17,20,22H,10-13,15-16H2,1-5H3,(H,32,39)(H,33,38).

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 559.67 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 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-[2-(4-methyl-1,2-oxazol-3-yl)acetyl]piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123998476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).