2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide

C24H26N4O2 — CID 55553104

About 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide

2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide (PubChem CID 55553104) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
• PubChem CID: 55553104
• Molecular Formula: C24H26N4O2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.21
• IUPAC Name: 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
• SMILES: CC(C)(C)C(=O)Nc1cccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1
• InChI: InChI=1S/C24H26N4O2/c1-24(2,3)23(30)27-18-7-4-6-17(14-18)22(29)28-12-9-16(10-13-28)20-15-26-21-19(20)8-5-11-25-21/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,25,26)(H,27,30)
• InChIKey: YWHAUAZLWJSJGY-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide (CID 55553104) is 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1.

What is the InChIKey of 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide?

The InChIKey is YWHAUAZLWJSJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-24(2,3)23(30)27-18-7-4-6-17(14-18)22(29)28-12-9-16(10-13-28)20-15-26-21-19(20)8-5-11-25-21/h4-9,11,14-15H,10,12-13H2,1-3H3,(H,25,26)(H,27,30).

What are the key properties of 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide?

2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide has a molecular weight of 402.50 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 55553104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).