N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide

C40H58N8O5 — CID 56994612

About N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide

N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide (PubChem CID 56994612) has the molecular formula C40H58N8O5 and a molecular weight of 730.96 g/mol. Its IUPAC name is N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide.

Molecular Properties

• Compound Name: N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide
• PubChem CID: 56994612
• Molecular Formula: C40H58N8O5
• Molecular Weight: 730.96 g/mol
• Exact Mass: 730.45
• IUPAC Name: N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide
• SMILES: Cc1nc2cnccc2n1CCCC(=O)N(C)[C@@H](CC(C)C)C(=O)CCOCCC(=O)[C@H](CC(C)C)N(C)C(=O)CCCn1c(C)nc2cnccc21
• InChI: InChI=1S/C40H58N8O5/c1-27(2)23-35(45(7)39(51)11-9-19-47-29(5)43-31-25-41-17-13-33(31)47)37(49)15-21-53-22-16-38(50)36(24-28(3)4)46(8)40(52)12-10-20-48-30(6)44-32-26-42-18-14-34(32)48/h13-14,17-18,25-28,35-36H,9-12,15-16,19-24H2,1-8H3/t35-,36-/m0/s1
• InChIKey: IXFUOGUETGDYQT-ZPGRZCPFSA-N
• XLogP: 5.73
• TPSA: 145.41 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	730.96
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide?

The IUPAC name of N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide (CID 56994612) is N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide.

What is the SMILES notation for N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide?

The canonical SMILES for N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide is Cc1nc2cnccc2n1CCCC(=O)N(C)[C@@H](CC(C)C)C(=O)CCOCCC(=O)[C@H](CC(C)C)N(C)C(=O)CCCn1c(C)nc2cnccc21.

What is the InChIKey of N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide?

The InChIKey is IXFUOGUETGDYQT-ZPGRZCPFSA-N. The full InChI is InChI=1S/C40H58N8O5/c1-27(2)23-35(45(7)39(51)11-9-19-47-29(5)43-31-25-41-17-13-33(31)47)37(49)15-21-53-22-16-38(50)36(24-28(3)4)46(8)40(52)12-10-20-48-30(6)44-32-26-42-18-14-34(32)48/h13-14,17-18,25-28,35-36H,9-12,15-16,19-24H2,1-8H3/t35-,36-/m0/s1.

What are the key properties of N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide?

N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide has a molecular weight of 730.96 g/mol, XLogP of 5.73, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[(4S)-6-methyl-1-[(4S)-6-methyl-4-[methyl-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoyl]amino]-3-oxoheptoxy]-3-oxoheptan-4-yl]butanamide is sourced from PubChem (CID 56994612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).