5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

C24H34N2O3 — CID 71299377

IUPAC5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCCCCCCCCCCCCN1C(=O)CC2C(=C(N)Oc3ccccc32)C1=O
InChIInChI=1S/C24H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16-26-21(27)17-19-18-14-11-12-15-20(18)29-23(25)22(19)24(26)28/h11-12,14-15,19H,2-10,13,16-17,25H2,1H3
InChIKeyKFCLZZNLMPSBNW-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.01
Rot. Bonds11

About 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione

5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (PubChem CID 71299377) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
PubChem CID71299377
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione
SMILESCCCCCCCCCCCCN1C(=O)CC2C(=C(N)Oc3ccccc32)C1=O
InChIInChI=1S/C24H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16-26-21(27)17-19-18-14-11-12-15-20(18)29-23(25)22(19)24(26)28/h11-12,14-15,19H,2-10,13,16-17,25H2,1H3
InChIKeyKFCLZZNLMPSBNW-UHFFFAOYSA-N
XLogP5.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The IUPAC name of 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione (CID 71299377) is 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione.
What is the SMILES notation for 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The canonical SMILES for 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is CCCCCCCCCCCCN1C(=O)CC2C(=C(N)Oc3ccccc32)C1=O.
What is the InChIKey of 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
The InChIKey is KFCLZZNLMPSBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16-26-21(27)17-19-18-14-11-12-15-20(18)29-23(25)22(19)24(26)28/h11-12,14-15,19H,2-10,13,16-17,25H2,1H3.
What are the key properties of 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione?
5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione has a molecular weight of 398.55 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-dodecyl-1,10b-dihydrochromeno[3,4-c]pyridine-2,4-dione is sourced from PubChem (CID 71299377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).