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

C19H27N3O3 — CID 56863507

IUPACN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O
InChIInChI=1S/C19H27N3O3/c1-4-12(2)17(23)20-10-13-9-15-16(21-18(13)25-3)11-22(19(15)24)14-7-5-6-8-14/h9,12,14H,4-8,10-11H2,1-3H3,(H,20,23)
InChIKeyLBXPBLYXWZOBNL-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.65
Rot. Bonds6

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

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide (PubChem CID 56863507) 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]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide
PubChem CID56863507
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O
InChIInChI=1S/C19H27N3O3/c1-4-12(2)17(23)20-10-13-9-15-16(21-18(13)25-3)11-22(19(15)24)14-7-5-6-8-14/h9,12,14H,4-8,10-11H2,1-3H3,(H,20,23)
InChIKeyLBXPBLYXWZOBNL-UHFFFAOYSA-N
XLogP2.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-2-methylbutanamide?
The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide (CID 56863507) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide.
What is the SMILES notation for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide?
The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide is CCC(C)C(=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]-2-methylbutanamide?
The InChIKey is LBXPBLYXWZOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-12(2)17(23)20-10-13-9-15-16(21-18(13)25-3)11-22(19(15)24)14-7-5-6-8-14/h9,12,14H,4-8,10-11H2,1-3H3,(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]-2-methylbutanamide?
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide has a molecular weight of 345.44 g/mol, XLogP of 2.65, 6 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]-2-methylbutanamide is sourced from PubChem (CID 56863507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).