N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide

C20H23N5O3 — CID 144869231

IUPACN-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
SMILES[H]/N=C/C(=C\C)c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C)C3=O)nc1C
InChIInChI=1S/C20H23N5O3/c1-4-13(10-21)14-7-8-16(22-12(14)2)23-17(26)11-25-9-5-6-15-18(25)20(28)24(3)19(15)27/h4,7-8,10,21H,5-6,9,11H2,1-3H3,(H,22,23,26)/b13-4+,21-10+
InChIKeyWQNOTPWMJZLBQY-ZKRWSPNESA-N
MW381.44 g/mol
LogP1.73
Rot. Bonds5

About N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide

N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 144869231) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID144869231
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
SMILES[H]/N=C/C(=C\C)c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C)C3=O)nc1C
InChIInChI=1S/C20H23N5O3/c1-4-13(10-21)14-7-8-16(22-12(14)2)23-17(26)11-25-9-5-6-15-18(25)20(28)24(3)19(15)27/h4,7-8,10,21H,5-6,9,11H2,1-3H3,(H,22,23,26)/b13-4+,21-10+
InChIKeyWQNOTPWMJZLBQY-ZKRWSPNESA-N
XLogP1.73
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide with MolForge

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Related Compounds

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
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(2-methylphenyl)pyridazin-3-yl]acetamide
CID 118174207
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenylpyrazin-2-yl)acetamide
CID 118174103
N-[6-[(3E)-hexa-1,3,5-trien-3-yl]-3-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
CID 144869224
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
CID 118174168
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-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 122652940
ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide
CID 144869172
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
CID 118174109
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide
CID 118174120
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-(N-prop-2-enylidenecarbamimidoyl)-2-bicyclo[4.1.0]hepta-2,4-dienyl]acetamide
CID 144869233
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(2-methyl-3-pyridin-3-yl-1,2-dihydropyridin-6-yl)acetamide
CID 118183186

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide (CID 144869231) is N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide is [H]/N=C/C(=C\C)c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C)C3=O)nc1C.
What is the InChIKey of N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is WQNOTPWMJZLBQY-ZKRWSPNESA-N. The full InChI is InChI=1S/C20H23N5O3/c1-4-13(10-21)14-7-8-16(22-12(14)2)23-17(26)11-25-9-5-6-15-18(25)20(28)24(3)19(15)27/h4,7-8,10,21H,5-6,9,11H2,1-3H3,(H,22,23,26)/b13-4+,21-10+.
What are the key properties of N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-1-iminobut-2-en-2-yl]-6-methyl-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 144869231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).