N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C28H34N8O2 — CID 170634488

About N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170634488) has the molecular formula C28H34N8O2 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 170634488
• Molecular Formula: C28H34N8O2
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.28
• IUPAC Name: N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: Cc1cnc2[nH]c(-c3cnn(C)c3)cc2c1.Cc1ncc(C(=O)NCCN2CC3CCC2C3)cc1NC=O
• InChI: InChI=1S/C16H22N4O2.C12H12N4/c1-11-15(19-10-21)7-13(8-18-11)16(22)17-4-5-20-9-12-2-3-14(20)6-12;1-8-3-9-4-11(15-12(9)13-5-8)10-6-14-16(2)7-10/h7-8,10,12,14H,2-6,9H2,1H3,(H,17,22)(H,19,21);3-7H,1-2H3,(H,13,15)
• InChIKey: SPKVTGPNYMVBCA-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 120.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 170634488) is N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]c(-c3cnn(C)c3)cc2c1.Cc1ncc(C(=O)NCCN2CC3CCC2C3)cc1NC=O.

What is the InChIKey of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is SPKVTGPNYMVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.C12H12N4/c1-11-15(19-10-21)7-13(8-18-11)16(22)17-4-5-20-9-12-2-3-14(20)6-12;1-8-3-9-4-11(15-12(9)13-5-8)10-6-14-16(2)7-10/h7-8,10,12,14H,2-6,9H2,1H3,(H,17,22)(H,19,21);3-7H,1-2H3,(H,13,15).

What are the key properties of N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?

N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 514.63 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-5-formamido-6-methylpyridine-3-carboxamide;5-methyl-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170634488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).