4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide

C15H23N3O3 — CID 86915188

IUPAC4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCCN2CCOCC2)n(C)c1
InChIInChI=1S/C15H23N3O3/c1-12(19)13-10-14(17(2)11-13)15(20)16-4-3-5-18-6-8-21-9-7-18/h10-11H,3-9H2,1-2H3,(H,16,20)
InChIKeyNBUWQNCMBZTFRK-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.68
Rot. Bonds6

About 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide

4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide (PubChem CID 86915188) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
PubChem CID86915188
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCCN2CCOCC2)n(C)c1
InChIInChI=1S/C15H23N3O3/c1-12(19)13-10-14(17(2)11-13)15(20)16-4-3-5-18-6-8-21-9-7-18/h10-11H,3-9H2,1-2H3,(H,16,20)
InChIKeyNBUWQNCMBZTFRK-UHFFFAOYSA-N
XLogP0.68
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-1-methyl-N-(3-piperazin-1-ylpropyl)pyrrole-2-carboxamide
CID 119391773
4-acetyl-1-methyl-N-[3-(methylamino)propyl]pyrrole-2-carboxamide
CID 119430794
4-acetamido-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 59656712
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-bromo-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-2-carboxamide
CID 60712476
1-methyl-4-[[4-[4-[[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]benzoyl]benzoyl]amino]-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 44627929
4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-butyl-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 17411212

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide (CID 86915188) is 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NCCCN2CCOCC2)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
The InChIKey is NBUWQNCMBZTFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12(19)13-10-14(17(2)11-13)15(20)16-4-3-5-18-6-8-21-9-7-18/h10-11H,3-9H2,1-2H3,(H,16,20).
What are the key properties of 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 86915188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).