N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide

C25H29N7O4 — CID 167988513

About N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide

N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide (PubChem CID 167988513) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide.

Molecular Properties

• Compound Name: N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide
• PubChem CID: 167988513
• Molecular Formula: C25H29N7O4
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.23
• IUPAC Name: N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide
• SMILES: Cc1nc2ccccc2n(CCCN(C)C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1=O
• InChI: InChI=1S/C25H29N7O4/c1-16-24(35)32(18-9-6-5-8-17(18)26-16)15-7-14-29(2)22(34)13-12-21(33)27-20-11-10-19-23(28-20)31(4)25(36)30(19)3/h5-6,8-11H,7,12-15H2,1-4H3,(H,27,28,33)
• InChIKey: RNCWECNMPOZIQC-UHFFFAOYSA-N
• XLogP: 1.56
• TPSA: 124.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide?

The IUPAC name of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide (CID 167988513) is N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide.

What is the SMILES notation for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide?

The canonical SMILES for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide is Cc1nc2ccccc2n(CCCN(C)C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1=O.

What is the InChIKey of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide?

The InChIKey is RNCWECNMPOZIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4/c1-16-24(35)32(18-9-6-5-8-17(18)26-16)15-7-14-29(2)22(34)13-12-21(33)27-20-11-10-19-23(28-20)31(4)25(36)30(19)3/h5-6,8-11H,7,12-15H2,1-4H3,(H,27,28,33).

What are the key properties of N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide?

N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide has a molecular weight of 491.55 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-methyl-N'-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]butanediamide is sourced from PubChem (CID 167988513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).