N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C19H24N4O2 — CID 176994031

About N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 176994031) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 176994031
• Molecular Formula: C19H24N4O2
• Molecular Weight: 340.43 g/mol
• Exact Mass: 340.19
• IUPAC Name: N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1cnc2[nH]c(C(=O)N[C@@H](C)C(=O)N3CCC4(CC3)CC4)cc2c1
• InChI: InChI=1S/C19H24N4O2/c1-12-9-14-10-15(22-16(14)20-11-12)17(24)21-13(2)18(25)23-7-5-19(3-4-19)6-8-23/h9-11,13H,3-8H2,1-2H3,(H,20,22)(H,21,24)/t13-/m0/s1
• InChIKey: UZTDAQOETFVCRL-ZDUSSCGKSA-N
• XLogP: 2.39
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.43
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 176994031) is N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is Cc1cnc2[nH]c(C(=O)N[C@@H](C)C(=O)N3CCC4(CC3)CC4)cc2c1.

What is the InChIKey of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is UZTDAQOETFVCRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-9-14-10-15(22-16(14)20-11-12)17(24)21-13(2)18(25)23-7-5-19(3-4-19)6-8-23/h9-11,13H,3-8H2,1-2H3,(H,20,22)(H,21,24)/t13-/m0/s1.

What are the key properties of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-5-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 176994031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).