3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid

C18H19N3O3 — CID 56589667

IUPAC3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid
SMILESCN(C)CCNC(=O)c1ccc2c(C(=O)O)c3ccccn3c2c1
InChIInChI=1S/C18H19N3O3/c1-20(2)10-8-19-17(22)12-6-7-13-15(11-12)21-9-4-3-5-14(21)16(13)18(23)24/h3-7,9,11H,8,10H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyOMVKEKNQENTGRO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.08
Rot. Bonds5

About 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid

3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid (PubChem CID 56589667) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid
PubChem CID56589667
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid
SMILESCN(C)CCNC(=O)c1ccc2c(C(=O)O)c3ccccn3c2c1
InChIInChI=1S/C18H19N3O3/c1-20(2)10-8-19-17(22)12-6-7-13-15(11-12)21-9-4-3-5-14(21)16(13)18(23)24/h3-7,9,11H,8,10H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyOMVKEKNQENTGRO-UHFFFAOYSA-N
XLogP2.08
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid (CID 56589667) is 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid is CN(C)CCNC(=O)c1ccc2c(C(=O)O)c3ccccn3c2c1.
What is the InChIKey of 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid?
The InChIKey is OMVKEKNQENTGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-20(2)10-8-19-17(22)12-6-7-13-15(11-12)21-9-4-3-5-14(21)16(13)18(23)24/h3-7,9,11H,8,10H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid?
3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylcarbamoyl]pyrido[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 56589667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).