4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide

C26H20N4O4 — CID 169329856

IUPAC4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H20N4O4/c1-2-29(20-9-5-7-15-6-3-4-8-18(15)20)26(34)16-10-12-17(13-11-16)30-21(31)14-19-22(23(30)27)25(33)28-24(19)32/h3-14H,2,27H2,1H3,(H,28,32,33)
InChIKeyKXHNBKWAHBDTGW-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.12
Rot. Bonds4

About 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide

4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide (PubChem CID 169329856) has the molecular formula C26H20N4O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide
PubChem CID169329856
Molecular FormulaC26H20N4O4
Molecular Weight452.47 g/mol
Exact Mass452.15
IUPAC Name4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide
SMILESCCN(C(=O)c1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H20N4O4/c1-2-29(20-9-5-7-15-6-3-4-8-18(15)20)26(34)16-10-12-17(13-11-16)30-21(31)14-19-22(23(30)27)25(33)28-24(19)32/h3-14H,2,27H2,1H3,(H,28,32,33)
InChIKeyKXHNBKWAHBDTGW-UHFFFAOYSA-N
XLogP3.12
TPSA114.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-phenylbenzamide
CID 169327829
4-amino-5-[3-(hydroxymethyl)naphthalen-2-yl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329605
4-amino-5-[4-(6-methyl-2-pyridinyl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328181
butyl 3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzoate
CID 169330590
2-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]quinoline-4-carboxamide
CID 169327838
4-amino-5-[4-(4-benzoylpiperazin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328735
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169328413
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
CID 54499279
4-amino-5-(4-bromo-3-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327552
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 169326806
N-[3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]-2-(dimethylamino)acetamide
CID 169327801
4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327067

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide?
The IUPAC name of 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide (CID 169329856) is 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide is CCN(C(=O)c1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1)c1cccc2ccccc12.
What is the InChIKey of 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide?
The InChIKey is KXHNBKWAHBDTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4/c1-2-29(20-9-5-7-15-6-3-4-8-18(15)20)26(34)16-10-12-17(13-11-16)30-21(31)14-19-22(23(30)27)25(33)28-24(19)32/h3-14H,2,27H2,1H3,(H,28,32,33).
What are the key properties of 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide?
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide has a molecular weight of 452.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-ethyl-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 169329856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).