3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide

C16H14N4O3 — CID 113202525

IUPAC3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)c2cccnc2C1=O)NCc1cccnc1
InChIInChI=1S/C16H14N4O3/c21-13(19-10-11-3-1-6-17-9-11)5-8-20-15(22)12-4-2-7-18-14(12)16(20)23/h1-4,6-7,9H,5,8,10H2,(H,19,21)
InChIKeyCJQWYIMUXLVBMQ-UHFFFAOYSA-N
MW310.31 g/mol
LogP0.78
Rot. Bonds5

About 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide

3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113202525) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113202525
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCN1C(=O)c2cccnc2C1=O)NCc1cccnc1
InChIInChI=1S/C16H14N4O3/c21-13(19-10-11-3-1-6-17-9-11)5-8-20-15(22)12-4-2-7-18-14(12)16(20)23/h1-4,6-7,9H,5,8,10H2,(H,19,21)
InChIKeyCJQWYIMUXLVBMQ-UHFFFAOYSA-N
XLogP0.78
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 71946746
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3-phenylpropanamide
CID 113082146
N-[2-(3-chlorophenyl)ethyl]-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202565
N-(4-acetamidophenyl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 113202622
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 71708206
N-(5-bromo-1,3-thiazol-2-yl)-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)propanamide
CID 15993223
3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596248
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(1-phenylethyl)propanamide
CID 113202514
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926385
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(3-methylphenyl)propanamide
CID 113202571

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 113202525) is 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCN1C(=O)c2cccnc2C1=O)NCc1cccnc1.
What is the InChIKey of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is CJQWYIMUXLVBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-13(19-10-11-3-1-6-17-9-11)5-8-20-15(22)12-4-2-7-18-14(12)16(20)23/h1-4,6-7,9H,5,8,10H2,(H,19,21).
What are the key properties of 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide?
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 310.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113202525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).