4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide

C18H19N3O2 — CID 51103594

IUPAC4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCc2c[nH]c3cc(C)ccc23)c1
InChIInChI=1S/C18H19N3O2/c1-11-3-4-15-13(9-20-16(15)7-11)5-6-19-18(23)17-8-14(10-21-17)12(2)22/h3-4,7-10,20-21H,5-6H2,1-2H3,(H,19,23)
InChIKeyKMFIJYPVUZXNNK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.98
Rot. Bonds5

About 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 51103594) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID51103594
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCc2c[nH]c3cc(C)ccc23)c1
InChIInChI=1S/C18H19N3O2/c1-11-3-4-15-13(9-20-16(15)7-11)5-6-19-18(23)17-8-14(10-21-17)12(2)22/h3-4,7-10,20-21H,5-6H2,1-2H3,(H,19,23)
InChIKeyKMFIJYPVUZXNNK-UHFFFAOYSA-N
XLogP2.98
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
3-methyl-N-[2-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111974109
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86875661
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 111505645
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
1-[2-(6-methyl-1H-indol-3-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111092547
N,N-dimethyl-3-[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111973793
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 51103594) is 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCCc2c[nH]c3cc(C)ccc23)c1.
What is the InChIKey of 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is KMFIJYPVUZXNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-3-4-15-13(9-20-16(15)7-11)5-6-19-18(23)17-8-14(10-21-17)12(2)22/h3-4,7-10,20-21H,5-6H2,1-2H3,(H,19,23).
What are the key properties of 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51103594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).