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

C30H36N6O2 — CID 177301255

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

N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 177301255) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide
• PubChem CID: 177301255
• Molecular Formula: C30H36N6O2
• Molecular Weight: 512.66 g/mol
• Exact Mass: 512.29
• IUPAC Name: N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide
• SMILES: CNc1ccn(-c2ccnc3c2cc(CN2CCC(c4ccc(C(=O)N(C)C)cc4C)CC2)n3C)c(=O)c1
• InChI: InChI=1S/C30H36N6O2/c1-20-16-22(30(38)33(3)4)6-7-25(20)21-9-13-35(14-10-21)19-24-18-26-27(8-12-32-29(26)34(24)5)36-15-11-23(31-2)17-28(36)37/h6-8,11-12,15-18,21,31H,9-10,13-14,19H2,1-5H3
• InChIKey: LUSNXJGAWPBMQY-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 75.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.66
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide?

The IUPAC name of N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide (CID 177301255) is N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide.

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

The canonical SMILES for N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide is CNc1ccn(-c2ccnc3c2cc(CN2CCC(c4ccc(C(=O)N(C)C)cc4C)CC2)n3C)c(=O)c1.

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

The InChIKey is LUSNXJGAWPBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2/c1-20-16-22(30(38)33(3)4)6-7-25(20)21-9-13-35(14-10-21)19-24-18-26-27(8-12-32-29(26)34(24)5)36-15-11-23(31-2)17-28(36)37/h6-8,11-12,15-18,21,31H,9-10,13-14,19H2,1-5H3.

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

N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 512.66 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,3-trimethyl-4-[1-[[1-methyl-4-[4-(methylamino)-2-oxo-1-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 177301255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).