2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide

C24H27N3O — CID 55678741

IUPAC2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(c3ccccc3)C2)c(C)n1-c1ccccc1
InChIInChI=1S/C24H27N3O/c1-18-15-23(19(2)27(18)22-11-7-4-8-12-22)24(28)25-16-20-13-14-26(17-20)21-9-5-3-6-10-21/h3-12,15,20H,13-14,16-17H2,1-2H3,(H,25,28)
InChIKeyVDQYZUAEWLPECP-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.35
Rot. Bonds5

About 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide

2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide (PubChem CID 55678741) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
PubChem CID55678741
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(c3ccccc3)C2)c(C)n1-c1ccccc1
InChIInChI=1S/C24H27N3O/c1-18-15-23(19(2)27(18)22-11-7-4-8-12-22)24(28)25-16-20-13-14-26(17-20)21-9-5-3-6-10-21/h3-12,15,20H,13-14,16-17H2,1-2H3,(H,25,28)
InChIKeyVDQYZUAEWLPECP-UHFFFAOYSA-N
XLogP4.35
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 94006282
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 38442047
4,5-dimethyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 38442776
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
3-ethynyl-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 167781608
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618
5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 47055377
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide (CID 55678741) is 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CCN(c3ccccc3)C2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is VDQYZUAEWLPECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18-15-23(19(2)27(18)22-11-7-4-8-12-22)24(28)25-16-20-13-14-26(17-20)21-9-5-3-6-10-21/h3-12,15,20H,13-14,16-17H2,1-2H3,(H,25,28).
What are the key properties of 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide?
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 55678741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).