3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide

C16H19N3O — CID 102778230

IUPAC3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H19N3O/c1-12-7-8-17-15(12)16(20)18-13-5-4-6-14(11-13)19-9-2-3-10-19/h2-6,9-12,15,17H,7-8H2,1H3,(H,18,20)
InChIKeyOZAPHDDDKFTSBB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.41
Rot. Bonds3

About 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide

3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 102778230) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID102778230
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H19N3O/c1-12-7-8-17-15(12)16(20)18-13-5-4-6-14(11-13)19-9-2-3-10-19/h2-6,9-12,15,17H,7-8H2,1H3,(H,18,20)
InChIKeyOZAPHDDDKFTSBB-UHFFFAOYSA-N
XLogP2.41
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79388429
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43713195
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279
3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778390
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 102777495
3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010193
N-(2,6-dichlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779613
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 102778230) is 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is OZAPHDDDKFTSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-7-8-17-15(12)16(20)18-13-5-4-6-14(11-13)19-9-2-3-10-19/h2-6,9-12,15,17H,7-8H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide?
3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102778230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).