N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide

C18H21N3O5 — CID 56866011

IUPACN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCN1Cc2nc(OC)c(CNC(=O)c3ccc(COC)o3)cc2C1=O
InChIInChI=1S/C18H21N3O5/c1-4-21-9-14-13(18(21)23)7-11(17(20-14)25-3)8-19-16(22)15-6-5-12(26-15)10-24-2/h5-7H,4,8-10H2,1-3H3,(H,19,22)
InChIKeyQQFBPNFWQCCMAN-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.74
Rot. Bonds7

About N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide

N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 56866011) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID56866011
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCN1Cc2nc(OC)c(CNC(=O)c3ccc(COC)o3)cc2C1=O
InChIInChI=1S/C18H21N3O5/c1-4-21-9-14-13(18(21)23)7-11(17(20-14)25-3)8-19-16(22)15-6-5-12(26-15)10-24-2/h5-7H,4,8-10H2,1-3H3,(H,19,22)
InChIKeyQQFBPNFWQCCMAN-UHFFFAOYSA-N
XLogP1.74
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 56880886
5-(methoxymethyl)-N-[(2-methoxyquinolin-4-yl)methyl]furan-2-carboxamide
CID 71998445
N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide
CID 56874067
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 56700613
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-1-methylpiperidine-2-carboxamide
CID 56861160
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxybutanamide
CID 95557604
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78878242
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3,3-dimethylbutanamide
CID 56862141
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
CID 78872860

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide (CID 56866011) is N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide is CCN1Cc2nc(OC)c(CNC(=O)c3ccc(COC)o3)cc2C1=O.
What is the InChIKey of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is QQFBPNFWQCCMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-4-21-9-14-13(18(21)23)7-11(17(20-14)25-3)8-19-16(22)15-6-5-12(26-15)10-24-2/h5-7H,4,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 56866011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).