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

C16H19N3O — CID 79388429

IUPAC2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H19N3O/c1-12-15(7-8-17-12)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)
InChIKeySMNOJTOLZKIVMW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.41
Rot. Bonds3

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

2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 79388429) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID79388429
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C16H19N3O/c1-12-15(7-8-17-12)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)
InChIKeySMNOJTOLZKIVMW-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

3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 102778230
N-[3-(dimethylamino)phenyl]-2-methylpiperidine-3-carboxamide
CID 115377873
2-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 79389147
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379
2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 79378129
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-(3-pyrrol-1-ylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43713195
N-(3-carbamoylphenyl)-2-methylpiperidine-3-carboxamide
CID 107811444
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide (CID 79388429) is 2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SMNOJTOLZKIVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-15(7-8-17-12)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 2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide?
2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-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 2-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79388429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).