[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate

C28H27N5O3 — CID 10743384

IUPAC[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)c4cccnc4)ccc3n(C)c12
InChIInChI=1S/C28H27N5O3/c1-17-20-9-11-30-25(27(34)31-12-13-32(2)3)22(20)15-23-21-14-19(7-8-24(21)33(4)26(17)23)36-28(35)18-6-5-10-29-16-18/h5-11,14-16H,12-13H2,1-4H3,(H,31,34)
InChIKeyITINPRIVPMWHGG-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.09
Rot. Bonds6

About [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate

[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate (PubChem CID 10743384) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate
PubChem CID10743384
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)c4cccnc4)ccc3n(C)c12
InChIInChI=1S/C28H27N5O3/c1-17-20-9-11-30-25(27(34)31-12-13-32(2)3)22(20)15-23-21-14-19(7-8-24(21)33(4)26(17)23)36-28(35)18-6-5-10-29-16-18/h5-11,14-16H,12-13H2,1-4H3,(H,31,34)
InChIKeyITINPRIVPMWHGG-UHFFFAOYSA-N
XLogP4.09
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate 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 [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate?
The IUPAC name of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate (CID 10743384) is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate.
What is the SMILES notation for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate?
The canonical SMILES for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate is Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)c4cccnc4)ccc3n(C)c12.
What is the InChIKey of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate?
The InChIKey is ITINPRIVPMWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-17-20-9-11-30-25(27(34)31-12-13-32(2)3)22(20)15-23-21-14-19(7-8-24(21)33(4)26(17)23)36-28(35)18-6-5-10-29-16-18/h5-11,14-16H,12-13H2,1-4H3,(H,31,34).
What are the key properties of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate?
[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate has a molecular weight of 481.56 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] pyridine-3-carboxylate is sourced from PubChem (CID 10743384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).