2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide

C25H22ClN5O — CID 154505213

About 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide

2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide (PubChem CID 154505213) has the molecular formula C25H22ClN5O and a molecular weight of 443.94 g/mol. Its IUPAC name is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 154505213
• Molecular Formula: C25H22ClN5O
• Molecular Weight: 443.94 g/mol
• Exact Mass: 443.15
• IUPAC Name: 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide
• SMILES: Cc1ccc2c(n1)N(CNC(=O)c1ccnc(Cc3ccc4ncc(Cl)cc4c3)c1)CC2
• InChI: InChI=1S/C25H22ClN5O/c1-16-2-4-18-7-9-31(24(18)30-16)15-29-25(32)19-6-8-27-22(13-19)11-17-3-5-23-20(10-17)12-21(26)14-28-23/h2-6,8,10,12-14H,7,9,11,15H2,1H3,(H,29,32)
• InChIKey: FDUZISSMASDNRV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.94
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide?

The IUPAC name of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide (CID 154505213) is 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide.

What is the SMILES notation for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide?

The canonical SMILES for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide is Cc1ccc2c(n1)N(CNC(=O)c1ccnc(Cc3ccc4ncc(Cl)cc4c3)c1)CC2.

What is the InChIKey of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide?

The InChIKey is FDUZISSMASDNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O/c1-16-2-4-18-7-9-31(24(18)30-16)15-29-25(32)19-6-8-27-22(13-19)11-17-3-5-23-20(10-17)12-21(26)14-28-23/h2-6,8,10,12-14H,7,9,11,15H2,1H3,(H,29,32).

What are the key properties of 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide?

2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide has a molecular weight of 443.94 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-chloroquinolin-6-yl)methyl]-N-[(6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 154505213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).