2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide

C17H27N3O2 — CID 141361912

IUPAC2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCCC2CCCN2C)c1C=O
InChIInChI=1S/C17H27N3O2/c1-12-10-13(2)20(16(12)11-21)14(3)17(22)18-8-7-15-6-5-9-19(15)4/h10-11,14-15H,5-9H2,1-4H3,(H,18,22)
InChIKeyPMFDWJYJAIVYEH-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.08
Rot. Bonds6

About 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide

2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide (PubChem CID 141361912) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
PubChem CID141361912
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCCC2CCCN2C)c1C=O
InChIInChI=1S/C17H27N3O2/c1-12-10-13(2)20(16(12)11-21)14(3)17(22)18-8-7-15-6-5-9-19(15)4/h10-11,14-15H,5-9H2,1-4H3,(H,18,22)
InChIKeyPMFDWJYJAIVYEH-UHFFFAOYSA-N
XLogP2.08
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 99919601
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N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
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2-(1H-indol-3-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide
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N-[2-methyl-5-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylcarbamoylamino]phenyl]cyclopentanecarboxamide
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3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
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3-methyl-4-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]benzoic acid
CID 106021097
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 72857196
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
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3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide
CID 103914140

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
The IUPAC name of 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide (CID 141361912) is 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide is Cc1cc(C)n(C(C)C(=O)NCCC2CCCN2C)c1C=O.
What is the InChIKey of 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
The InChIKey is PMFDWJYJAIVYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12-10-13(2)20(16(12)11-21)14(3)17(22)18-8-7-15-6-5-9-19(15)4/h10-11,14-15H,5-9H2,1-4H3,(H,18,22).
What are the key properties of 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide?
2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-3,5-dimethylpyrrol-1-yl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]propanamide is sourced from PubChem (CID 141361912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).