1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one

C15H14ClN3O2 — CID 57337797

IUPAC1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one
SMILESCON(C)C1(c2ccc(Cl)cc2)NC(=O)c2cnccc21
InChIInChI=1S/C15H14ClN3O2/c1-19(21-2)15(10-3-5-11(16)6-4-10)13-7-8-17-9-12(13)14(20)18-15/h3-9H,1-2H3,(H,18,20)
InChIKeyUWKDHYMWOLTTEV-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.17
Rot. Bonds3

About 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one

1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 57337797) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID57337797
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one
SMILESCON(C)C1(c2ccc(Cl)cc2)NC(=O)c2cnccc21
InChIInChI=1S/C15H14ClN3O2/c1-19(21-2)15(10-3-5-11(16)6-4-10)13-7-8-17-9-12(13)14(20)18-15/h3-9H,1-2H3,(H,18,20)
InChIKeyUWKDHYMWOLTTEV-UHFFFAOYSA-N
XLogP2.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one (CID 57337797) is 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one is CON(C)C1(c2ccc(Cl)cc2)NC(=O)c2cnccc21.
What is the InChIKey of 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is UWKDHYMWOLTTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-19(21-2)15(10-3-5-11(16)6-4-10)13-7-8-17-9-12(13)14(20)18-15/h3-9H,1-2H3,(H,18,20).
What are the key properties of 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one?
1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 303.75 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-[methoxy(methyl)amino]-2H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 57337797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).