N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C19H24N4O3 — CID 176993825

About N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 176993825) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 176993825
• Molecular Formula: C19H24N4O3
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.18
• IUPAC Name: N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: COc1nccc2cc(C(=O)N[C@H](C)C(=O)N3CCC4(CC3)CC4)[nH]c12
• InChI: InChI=1S/C19H24N4O3/c1-12(18(25)23-9-6-19(4-5-19)7-10-23)21-16(24)14-11-13-3-8-20-17(26-2)15(13)22-14/h3,8,11-12,22H,4-7,9-10H2,1-2H3,(H,21,24)/t12-/m1/s1
• InChIKey: GYGDGBBGNRCDJD-GFCCVEGCSA-N
• XLogP: 2.09
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 176993825) is N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is COc1nccc2cc(C(=O)N[C@H](C)C(=O)N3CCC4(CC3)CC4)[nH]c12.

What is the InChIKey of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is GYGDGBBGNRCDJD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(18(25)23-9-6-19(4-5-19)7-10-23)21-16(24)14-11-13-3-8-20-17(26-2)15(13)22-14/h3,8,11-12,22H,4-7,9-10H2,1-2H3,(H,21,24)/t12-/m1/s1.

What are the key properties of N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-7-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 176993825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).