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

C19H27N3O3 — CID 56862174

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

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide (PubChem CID 56862174) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide.

Molecular Properties

• Compound Name: N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide
• PubChem CID: 56862174
• Molecular Formula: C19H27N3O3
• Molecular Weight: 345.44 g/mol
• Exact Mass: 345.21
• IUPAC Name: N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide
• SMILES: CCCCC(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O
• InChI: InChI=1S/C19H27N3O3/c1-3-4-9-17(23)20-11-13-10-15-16(21-18(13)25-2)12-22(19(15)24)14-7-5-6-8-14/h10,14H,3-9,11-12H2,1-2H3,(H,20,23)
• InChIKey: HWKLAOJIRNRKMQ-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.44
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide (CID 56862174) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide.

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

The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide is CCCCC(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O.

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

The InChIKey is HWKLAOJIRNRKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-4-9-17(23)20-11-13-10-15-16(21-18(13)25-2)12-22(19(15)24)14-7-5-6-8-14/h10,14H,3-9,11-12H2,1-2H3,(H,20,23).

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

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide has a molecular weight of 345.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pentanamide is sourced from PubChem (CID 56862174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).