N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide

C24H27N5O3 — CID 134227480

About N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide

N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide (PubChem CID 134227480) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide.

Molecular Properties

• Compound Name: N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide
• PubChem CID: 134227480
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide
• SMILES: CNC(C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ncccc23)C1=O
• InChI: InChI=1S/C24H27N5O3/c1-15(25-2)23(30)28-19-11-10-16-7-4-5-9-20(16)29(24(19)31)14-18-17-8-6-12-26-22(17)27-13-21(18)32-3/h4-9,12-13,15,19,25H,10-11,14H2,1-3H3,(H,28,30)/t15?,19-/m0/s1
• InChIKey: YCRHRKQEAHVIOH-FUBQLUNQSA-N
• XLogP: 2.21
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide?

The IUPAC name of N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide (CID 134227480) is N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide.

What is the SMILES notation for N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide?

The canonical SMILES for N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide is CNC(C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ncccc23)C1=O.

What is the InChIKey of N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide?

The InChIKey is YCRHRKQEAHVIOH-FUBQLUNQSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15(25-2)23(30)28-19-11-10-16-7-4-5-9-20(16)29(24(19)31)14-18-17-8-6-12-26-22(17)27-13-21(18)32-3/h4-9,12-13,15,19,25H,10-11,14H2,1-3H3,(H,28,30)/t15?,19-/m0/s1.

What are the key properties of N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide?

N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide has a molecular weight of 433.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[(3-methoxy-1,8-naphthyridin-4-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 134227480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).