N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide

C29H34N6O — CID 177354049

About N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide

N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 177354049) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide
• PubChem CID: 177354049
• Molecular Formula: C29H34N6O
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.28
• IUPAC Name: N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide
• SMILES: CNc1ccc(-c2ccnc3c2cc(CN2CCC(c4ccc(C(=O)N(C)C)cc4)CC2)n3C)cn1
• InChI: InChI=1S/C29H34N6O/c1-30-27-10-9-23(18-32-27)25-11-14-31-28-26(25)17-24(34(28)4)19-35-15-12-21(13-16-35)20-5-7-22(8-6-20)29(36)33(2)3/h5-11,14,17-18,21H,12-13,15-16,19H2,1-4H3,(H,30,32)
• InChIKey: NJIZSPWXDXGVTM-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	4.76
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-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide?

The IUPAC name of N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide (CID 177354049) is N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide.

What is the SMILES notation for N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide?

The canonical SMILES for N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide is CNc1ccc(-c2ccnc3c2cc(CN2CCC(c4ccc(C(=O)N(C)C)cc4)CC2)n3C)cn1.

What is the InChIKey of N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide?

The InChIKey is NJIZSPWXDXGVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-30-27-10-9-23(18-32-27)25-11-14-31-28-26(25)17-24(34(28)4)19-35-15-12-21(13-16-35)20-5-7-22(8-6-20)29(36)33(2)3/h5-11,14,17-18,21H,12-13,15-16,19H2,1-4H3,(H,30,32).

What are the key properties of N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide?

N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 482.63 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 177354049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).