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

C17H23N3O3 — CID 56864569

IUPACN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O
InChIInChI=1S/C17H23N3O3/c1-3-15(21)18-9-11-8-13-14(19-16(11)23-2)10-20(17(13)22)12-6-4-5-7-12/h8,12H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyFFJFXCVCUOOXAZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.01
Rot. Bonds5

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

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide (PubChem CID 56864569) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide
PubChem CID56864569
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1cc2c(nc1OC)CN(C1CCCC1)C2=O
InChIInChI=1S/C17H23N3O3/c1-3-15(21)18-9-11-8-13-14(19-16(11)23-2)10-20(17(13)22)12-6-4-5-7-12/h8,12H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyFFJFXCVCUOOXAZ-UHFFFAOYSA-N
XLogP2.01
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

Synthesis of (E)-2-((2-(aminomethyl)-3-fluoroallyl)oxy)-6-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 138669966
Synthesis of (Z)-2-((2-(aminomethyl)-3-fluoroallyl)oxy)-6-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 138669968
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,2-dimethylbutanamide
CID 56865714
2-Methoxy-7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one
CID 71743833
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 51113417
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(methylamino)-3-oxopropyl]pyrrole-3-carboxamide
CID 53601386
(2S,4R)-4-amino-N-isopropyl-1-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56710509
(2S,4S)-4-amino-N-isopropyl-1-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56722535
N-(4-amino-4-oxobutyl)-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56799014
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]tetrahydro-2H-pyran-4-carboxamide
CID 56865977
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 56875170
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,6-dimethylbenzamide
CID 56876561

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]propanamide?
The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide (CID 56864569) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide?
The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide is CCC(=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]propanamide?
The InChIKey is FFJFXCVCUOOXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-15(21)18-9-11-8-13-14(19-16(11)23-2)10-20(17(13)22)12-6-4-5-7-12/h8,12H,3-7,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide?
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.01, 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]propanamide is sourced from PubChem (CID 56864569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).