N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide

C31H38N6O — CID 177353565

About N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide

N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide (PubChem CID 177353565) has the molecular formula C31H38N6O and a molecular weight of 510.69 g/mol. Its IUPAC name is N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide.

Molecular Properties

• Compound Name: N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
• PubChem CID: 177353565
• Molecular Formula: C31H38N6O
• Molecular Weight: 510.69 g/mol
• Exact Mass: 510.31
• IUPAC Name: N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
• SMILES: CNC1C=CC(c2ccnc3c2cc(CN2CC=C(c4ccc(C(=O)N(C)C)cc4C)CC2)n3C)=CN1C
• InChI: InChI=1S/C31H38N6O/c1-21-17-23(31(38)34(3)4)7-9-26(21)22-12-15-37(16-13-22)20-25-18-28-27(11-14-33-30(28)36(25)6)24-8-10-29(32-2)35(5)19-24/h7-12,14,17-19,29,32H,13,15-16,20H2,1-6H3
• InChIKey: AEHIHFZXYXQOGO-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 56.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.69
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?

The IUPAC name of N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide (CID 177353565) is N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide.

What is the SMILES notation for N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?

The canonical SMILES for N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide is CNC1C=CC(c2ccnc3c2cc(CN2CC=C(c4ccc(C(=O)N(C)C)cc4C)CC2)n3C)=CN1C.

What is the InChIKey of N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?

The InChIKey is AEHIHFZXYXQOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O/c1-21-17-23(31(38)34(3)4)7-9-26(21)22-12-15-37(16-13-22)20-25-18-28-27(11-14-33-30(28)36(25)6)24-8-10-29(32-2)35(5)19-24/h7-12,14,17-19,29,32H,13,15-16,20H2,1-6H3.

What are the key properties of N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide?

N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide has a molecular weight of 510.69 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,3-trimethyl-4-[1-[[1-methyl-4-[1-methyl-2-(methylamino)-2H-pyridin-5-yl]pyrrolo[2,3-b]pyridin-2-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide is sourced from PubChem (CID 177353565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).