4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide

C16H25N3O2 — CID 3240615

IUPAC4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCCN2CCCC2)c1C
InChIInChI=1S/C16H25N3O2/c1-11-14(13(3)20)12(2)18-15(11)16(21)17-7-6-10-19-8-4-5-9-19/h18H,4-10H2,1-3H3,(H,17,21)
InChIKeyNMRNCLUENRQYNO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.05
Rot. Bonds6

About 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 3240615) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID3240615
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCCN2CCCC2)c1C
InChIInChI=1S/C16H25N3O2/c1-11-14(13(3)20)12(2)18-15(11)16(21)17-7-6-10-19-8-4-5-9-19/h18H,4-10H2,1-3H3,(H,17,21)
InChIKeyNMRNCLUENRQYNO-UHFFFAOYSA-N
XLogP2.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
Pyrrole, 2,4-diacetyl-3,5-dimethyl-
CID 200285
N,3-dimethyl-4-oxo-5,6,7,8-tetrahydro-2H-cyclohepta[c]pyrrole-1-carboxamide
CID 153617028
4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3241255
1-[5-(3,5-dimethylpiperidine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 3570670
4-acetyl-3-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 20858607
4-Acetyl-3-Ethyl-N,5-Dimethyl-1h-Pyrrole-2-Carboxamide
CID 47265390
1-[5-(2,3-dihydroindole-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 866995
4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 867003
4-acetyl-N-benzhydryl-N,3,5-trimethyl-1H-pyrrole-2-carboxamide
CID 2091172
Sdccgsbi-0661720.P001
CID 2430108
4-acetyl-N-(3-ethoxypropyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3237458

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide (CID 3240615) is 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCCCN2CCCC2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NMRNCLUENRQYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-14(13(3)20)12(2)18-15(11)16(21)17-7-6-10-19-8-4-5-9-19/h18H,4-10H2,1-3H3,(H,17,21).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3240615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).