[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate

C19H17N3O4 — CID 166376118

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cc(C(N)=O)ccn3)c[nH]c12
InChIInChI=1S/C19H17N3O4/c1-2-11-4-3-5-13-14(9-22-17(11)13)16(23)10-26-19(25)15-8-12(18(20)24)6-7-21-15/h3-9,22H,2,10H2,1H3,(H2,20,24)
InChIKeyYQMBDDLLRYUVQI-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.26
Rot. Bonds6

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate (PubChem CID 166376118) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate
PubChem CID166376118
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cc(C(N)=O)ccn3)c[nH]c12
InChIInChI=1S/C19H17N3O4/c1-2-11-4-3-5-13-14(9-22-17(11)13)16(23)10-26-19(25)15-8-12(18(20)24)6-7-21-15/h3-9,22H,2,10H2,1H3,(H2,20,24)
InChIKeyYQMBDDLLRYUVQI-UHFFFAOYSA-N
XLogP2.26
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-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

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
SB 203186
CID 3272300
Nbbcc
CID 128618
4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester
CID 2176047
1-Piperidinylethyl-1H-indole-3-carboxylate hydrochloride
CID 9926639
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037317
Methyl 5-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]pyridine-2-carboxylate
CID 44143525
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
4-Methoxymethyl-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 13041786

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate (CID 166376118) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate is CCc1cccc2c(C(=O)COC(=O)c3cc(C(N)=O)ccn3)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate?
The InChIKey is YQMBDDLLRYUVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-11-4-3-5-13-14(9-22-17(11)13)16(23)10-26-19(25)15-8-12(18(20)24)6-7-21-15/h3-9,22H,2,10H2,1H3,(H2,20,24).
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-carbamoylpyridine-2-carboxylate is sourced from PubChem (CID 166376118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).