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

C20H29N3O3 — CID 56862141

IUPACN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCOc1nc2c(cc1CNC(=O)CC(C)(C)C)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C20H29N3O3/c1-20(2,3)10-17(24)21-11-13-9-15-16(22-18(13)26-4)12-23(19(15)25)14-7-5-6-8-14/h9,14H,5-8,10-12H2,1-4H3,(H,21,24)
InChIKeyBQWWFNOLVNJLGI-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.04
Rot. Bonds5

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

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 56862141) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide
PubChem CID56862141
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide
SMILESCOc1nc2c(cc1CNC(=O)CC(C)(C)C)C(=O)N(C1CCCC1)C2
InChIInChI=1S/C20H29N3O3/c1-20(2,3)10-17(24)21-11-13-9-15-16(22-18(13)26-4)12-23(19(15)25)14-7-5-6-8-14/h9,14H,5-8,10-12H2,1-4H3,(H,21,24)
InChIKeyBQWWFNOLVNJLGI-UHFFFAOYSA-N
XLogP3.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.04
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]-3,3-dimethylbutanamide?
The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide (CID 56862141) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide is COc1nc2c(cc1CNC(=O)CC(C)(C)C)C(=O)N(C1CCCC1)C2.
What is the InChIKey of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is BQWWFNOLVNJLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,3)10-17(24)21-11-13-9-15-16(22-18(13)26-4)12-23(19(15)25)14-7-5-6-8-14/h9,14H,5-8,10-12H2,1-4H3,(H,21,24).
What are the key properties of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide?
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 359.47 g/mol, XLogP of 3.04, 5 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 56862141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).