4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide

C23H28N4O3 — CID 49498040

IUPAC4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c1C
InChIInChI=1S/C23H28N4O3/c1-15-21(17(3)28)16(2)24-22(15)23(29)25-19-4-5-20-18(14-19)6-7-27(20)9-8-26-10-12-30-13-11-26/h4-7,14,24H,8-13H2,1-3H3,(H,25,29)
InChIKeyFHHKFXGZVAJWGU-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.37
Rot. Bonds6

About 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide (PubChem CID 49498040) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide
PubChem CID49498040
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c1C
InChIInChI=1S/C23H28N4O3/c1-15-21(17(3)28)16(2)24-22(15)23(29)25-19-4-5-20-18(14-19)6-7-27(20)9-8-26-10-12-30-13-11-26/h4-7,14,24H,8-13H2,1-3H3,(H,25,29)
InChIKeyFHHKFXGZVAJWGU-UHFFFAOYSA-N
XLogP3.37
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51129932
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CID 9362111
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
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CID 120503366
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CID 119864723
7-fluoro-4-methoxy-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-indole-2-carboxamide
CID 154839549
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CID 119864704
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CID 56556947
N-[3-[[[1-(2-morpholin-4-ylethyl)indol-5-yl]carbamoylamino]methyl]phenyl]acetamide
CID 56556717
(2R)-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]oxolane-2-carboxamide
CID 94391676
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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide (CID 49498040) is 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is FHHKFXGZVAJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-21(17(3)28)16(2)24-22(15)23(29)25-19-4-5-20-18(14-19)6-7-27(20)9-8-26-10-12-30-13-11-26/h4-7,14,24H,8-13H2,1-3H3,(H,25,29).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-[1-(2-morpholin-4-ylethyl)indol-5-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 49498040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).