1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide

C23H25N3O — CID 56557962

IUPAC1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccn3Cc3ccccc3)cc2)C1
InChIInChI=1S/C23H25N3O/c1-18-13-15-25(16-18)21-11-9-20(10-12-21)24-23(27)22-8-5-14-26(22)17-19-6-3-2-4-7-19/h2-12,14,18H,13,15-17H2,1H3,(H,24,27)
InChIKeyDTLJKWIACSMMNX-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.63
Rot. Bonds5

About 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide

1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide (PubChem CID 56557962) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
PubChem CID56557962
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccn3Cc3ccccc3)cc2)C1
InChIInChI=1S/C23H25N3O/c1-18-13-15-25(16-18)21-11-9-20(10-12-21)24-23(27)22-8-5-14-26(22)17-19-6-3-2-4-7-19/h2-12,14,18H,13,15-17H2,1H3,(H,24,27)
InChIKeyDTLJKWIACSMMNX-UHFFFAOYSA-N
XLogP4.63
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-chloro-3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 56559070
3-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-oxophthalazine-1-carboxamide
CID 56559107
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405
N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 155945474
4-bromo-1-ethyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide
CID 56556366
2,4-dichloro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559113
2-benzhydryloxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56556328
2-[(3-methylphenyl)methylsulfanyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56559198
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
3-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 56556195
N-[3-[4-(3-methylpyrrolidin-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 56559267

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide (CID 56557962) is 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide is CC1CCN(c2ccc(NC(=O)c3cccn3Cc3ccccc3)cc2)C1.
What is the InChIKey of 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
The InChIKey is DTLJKWIACSMMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18-13-15-25(16-18)21-11-9-20(10-12-21)24-23(27)22-8-5-14-26(22)17-19-6-3-2-4-7-19/h2-12,14,18H,13,15-17H2,1H3,(H,24,27).
What are the key properties of 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide?
1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 56557962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).