N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine

C29H34N4O3 — CID 67215511

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine
SMILESCCNCC.Cc1ccc(C=Cc2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1
InChIInChI=1S/C25H23N3O3.C4H11N/c1-17-9-11-18(12-10-17)13-14-21-20(8-5-15-27-21)25(31)28-22(23(29)24(26)30)16-19-6-3-2-4-7-19;1-3-5-4-2/h2-15,22H,16H2,1H3,(H2,26,30)(H,28,31);5H,3-4H2,1-2H3
InChIKeyBFBXFKWIJSPYDV-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.57
Rot. Bonds10

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine (PubChem CID 67215511) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine
PubChem CID67215511
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine
SMILESCCNCC.Cc1ccc(C=Cc2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1
InChIInChI=1S/C25H23N3O3.C4H11N/c1-17-9-11-18(12-10-17)13-14-21-20(8-5-15-27-21)25(31)28-22(23(29)24(26)30)16-19-6-3-2-4-7-19;1-3-5-4-2/h2-15,22H,16H2,1H3,(H2,26,30)(H,28,31);5H,3-4H2,1-2H3
InChIKeyBFBXFKWIJSPYDV-UHFFFAOYSA-N
XLogP3.57
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethenyl]pyridine-3-carboxamide
CID 66996094
N-(1-amino-1,2-dioxoheptan-3-yl)-2-[2-[4-(diethylaminomethyl)phenyl]ethenyl]pyridine-3-carboxamide
CID 67215550
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
CID 91158500
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide
CID 11733202
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-[4-[[propan-2-yl(propyl)amino]methyl]phenyl]ethenyl]benzamide
CID 54471367
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]ethenyl]benzamide
CID 23513618
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134396739
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethenyl]benzamide
CID 54253461
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
CID 162475674
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 70032001
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(5-phenyl-1H-imidazol-2-yl)pyridine-3-carboxamide
CID 46870400

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine (CID 67215511) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine is CCNCC.Cc1ccc(C=Cc2ncccc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine?
The InChIKey is BFBXFKWIJSPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3.C4H11N/c1-17-9-11-18(12-10-17)13-14-21-20(8-5-15-27-21)25(31)28-22(23(29)24(26)30)16-19-6-3-2-4-7-19;1-3-5-4-2/h2-15,22H,16H2,1H3,(H2,26,30)(H,28,31);5H,3-4H2,1-2H3.
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine has a molecular weight of 486.62 g/mol, XLogP of 3.57, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[2-(4-methylphenyl)ethenyl]pyridine-3-carboxamide;N-ethylethanamine is sourced from PubChem (CID 67215511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).