2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate

C19H21N3O4 — CID 56589666

IUPAC2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCONC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1
InChIInChI=1S/C19H21N3O4/c1-21(2)10-11-26-19(24)17-14-8-7-13(18(23)20-25-3)12-16(14)22-9-5-4-6-15(17)22/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyZZDUDEMXVPDTNG-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.10
Rot. Bonds6

About 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate

2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 56589666) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate
PubChem CID56589666
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate
SMILESCONC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1
InChIInChI=1S/C19H21N3O4/c1-21(2)10-11-26-19(24)17-14-8-7-13(18(23)20-25-3)12-16(14)22-9-5-4-6-15(17)22/h4-9,12H,10-11H2,1-3H3,(H,20,23)
InChIKeyZZDUDEMXVPDTNG-UHFFFAOYSA-N
XLogP2.10
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate (CID 56589666) is 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate is CONC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1.
What is the InChIKey of 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is ZZDUDEMXVPDTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-21(2)10-11-26-19(24)17-14-8-7-13(18(23)20-25-3)12-16(14)22-9-5-4-6-15(17)22/h4-9,12H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate?
2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-(methoxycarbamoyl)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 56589666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).