2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide

C21H24N6O3 — CID 134357094

IUPAC2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide
SMILESN/C(=C\C=C(/N)NC(=O)CN1CCCC2=C1C(=O)N(C1CC1)C2=O)c1cccnc1
InChIInChI=1S/C21H24N6O3/c22-16(13-3-1-9-24-11-13)7-8-17(23)25-18(28)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12,22-23H2,(H,25,28)/b16-7-,17-8+
InChIKeyDAYWWJYGJAFVSA-NIVQCIBKSA-N
MW408.46 g/mol
LogP0.18
Rot. Bonds6

About 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide

2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide (PubChem CID 134357094) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide
PubChem CID134357094
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide
SMILESN/C(=C\C=C(/N)NC(=O)CN1CCCC2=C1C(=O)N(C1CC1)C2=O)c1cccnc1
InChIInChI=1S/C21H24N6O3/c22-16(13-3-1-9-24-11-13)7-8-17(23)25-18(28)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12,22-23H2,(H,25,28)/b16-7-,17-8+
InChIKeyDAYWWJYGJAFVSA-NIVQCIBKSA-N
XLogP0.18
TPSA134.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide with MolForge

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Related Compounds

2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide
CID 123260370
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide
CID 118174114
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(5-methyl-3-pyridinyl)pyridazin-3-yl]-N-phenylacetamide
CID 118174072
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-methyl-5-pyridin-3-ylpyrazin-2-yl)acetamide
CID 118183089
1-(2-pyridin-3-ylprop-2-enyl)pyrrolidin-2-one
CID 22733091
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
6-(2,6-dioxopiperidin-3-yl)-1-[[3-(3-pyridin-3-ylphenyl)-1,2,4-thiadiazol-5-yl]methyl]-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 178101046
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55247301
3-(1-methylpyrrolidin-2-yl)pyridine;pyridine-3-carboxamide;pyridine-3-carboxylic acid
CID 159157477
2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925288
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CID 127245086

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide?
The IUPAC name of 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide (CID 134357094) is 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide?
The canonical SMILES for 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide is N/C(=C\C=C(/N)NC(=O)CN1CCCC2=C1C(=O)N(C1CC1)C2=O)c1cccnc1.
What is the InChIKey of 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide?
The InChIKey is DAYWWJYGJAFVSA-NIVQCIBKSA-N. The full InChI is InChI=1S/C21H24N6O3/c22-16(13-3-1-9-24-11-13)7-8-17(23)25-18(28)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12,22-23H2,(H,25,28)/b16-7-,17-8+.
What are the key properties of 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide?
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide has a molecular weight of 408.46 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-pyridin-3-ylbuta-1,3-dienyl]acetamide is sourced from PubChem (CID 134357094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).