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

C30H39N5O5 — CID 123545514

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide (PubChem CID 123545514) has the molecular formula C30H39N5O5 and a molecular weight of 549.67 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide
• PubChem CID: 123545514
• Molecular Formula: C30H39N5O5
• Molecular Weight: 549.67 g/mol
• Exact Mass: 549.30
• IUPAC Name: N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)N3CCOCC3)CC2)c2ccccc12
• InChI: InChI=1S/C30H39N5O5/c1-19-17-26(39-4)24(28(36)32-19)18-31-29(37)27-21(3)35(25-8-6-5-7-23(25)27)20(2)22-9-11-33(12-10-22)30(38)34-13-15-40-16-14-34/h5-8,17,20,22H,9-16,18H2,1-4H3,(H,31,37)(H,32,36)
• InChIKey: AJRUQQKRYQNQCB-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 108.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.67
LogP ≤ 5	3.61
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-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide (CID 123545514) is N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)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-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCN(C(=O)N3CCOCC3)CC2)c2ccccc12.

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

The InChIKey is AJRUQQKRYQNQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O5/c1-19-17-26(39-4)24(28(36)32-19)18-31-29(37)27-21(3)35(25-8-6-5-7-23(25)27)20(2)22-9-11-33(12-10-22)30(38)34-13-15-40-16-14-34/h5-8,17,20,22H,9-16,18H2,1-4H3,(H,31,37)(H,32,36).

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

N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-[1-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide has a molecular weight of 549.67 g/mol, XLogP of 3.61, 6 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-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]indole-3-carboxamide is sourced from PubChem (CID 123545514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).