2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate

C18H17N3O2 — CID 66667646

IUPAC2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate
SMILESCN(C)CCOC(=O)c1c2ccccc2n2cc(C#N)ccc12
InChIInChI=1S/C18H17N3O2/c1-20(2)9-10-23-18(22)17-14-5-3-4-6-15(14)21-12-13(11-19)7-8-16(17)21/h3-8,12H,9-10H2,1-2H3
InChIKeyUPAMJYRQUFFKQB-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.68
Rot. Bonds4

About 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate

2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667646) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate
PubChem CID66667646
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate
SMILESCN(C)CCOC(=O)c1c2ccccc2n2cc(C#N)ccc12
InChIInChI=1S/C18H17N3O2/c1-20(2)9-10-23-18(22)17-14-5-3-4-6-15(14)21-12-13(11-19)7-8-16(17)21/h3-8,12H,9-10H2,1-2H3
InChIKeyUPAMJYRQUFFKQB-UHFFFAOYSA-N
XLogP2.68
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate 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

Tropisetron
CID 656665
Tropisetron hydrochloride
CID 656664
(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CID 119376
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
SB 203186
CID 3272300
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
1-Piperidinylethyl-1H-indole-3-carboxylate hydrochloride
CID 9926639
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
methyl 1-methoxy-1H-indole-3-carboxylate
CID 10465540
methyl 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole-6-carboxylate
CID 11632670
[1-[2-(Methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-(tritritiomethyl)indole-3-carboxylate
CID 44559101

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate (CID 66667646) is 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate is CN(C)CCOC(=O)c1c2ccccc2n2cc(C#N)ccc12.
What is the InChIKey of 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate?
The InChIKey is UPAMJYRQUFFKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-20(2)9-10-23-18(22)17-14-5-3-4-6-15(14)21-12-13(11-19)7-8-16(17)21/h3-8,12H,9-10H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate?
2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 7-cyanopyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).