6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide

C20H23N5O3 — CID 56881056

About 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide

6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 56881056) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 56881056
• Molecular Formula: C20H23N5O3
• Molecular Weight: 381.44 g/mol
• Exact Mass: 381.18
• IUPAC Name: 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide
• SMILES: COc1nc2c(cc1CNC(=O)c1ccc(N)nc1)C(=O)N(C1CCCC1)C2
• InChI: InChI=1S/C20H23N5O3/c1-28-19-13(10-23-18(26)12-6-7-17(21)22-9-12)8-15-16(24-19)11-25(20(15)27)14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,21,22)(H,23,26)
• InChIKey: KNTBVTCABILXIG-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 110.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.44
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide (CID 56881056) is 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide is COc1nc2c(cc1CNC(=O)c1ccc(N)nc1)C(=O)N(C1CCCC1)C2.

What is the InChIKey of 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide?

The InChIKey is KNTBVTCABILXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-28-19-13(10-23-18(26)12-6-7-17(21)22-9-12)8-15-16(24-19)11-25(20(15)27)14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H2,21,22)(H,23,26).

What are the key properties of 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide?

6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56881056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).