1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide

C17H21N3O — CID 107422969

IUPAC1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCC1(NC(=O)c2cccn2Cc2ccccc2)CCNC1
InChIInChI=1S/C17H21N3O/c1-17(9-10-18-13-17)19-16(21)15-8-5-11-20(15)12-14-6-3-2-4-7-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyWTSADXKIRUSYEC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.02
Rot. Bonds4

About 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide

1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide (PubChem CID 107422969) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
PubChem CID107422969
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCC1(NC(=O)c2cccn2Cc2ccccc2)CCNC1
InChIInChI=1S/C17H21N3O/c1-17(9-10-18-13-17)19-16(21)15-8-5-11-20(15)12-14-6-3-2-4-7-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyWTSADXKIRUSYEC-UHFFFAOYSA-N
XLogP2.02
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-N-(4-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 114696201
N-(4-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114696598
1-benzyl-N-methoxypyrrole-2-carboxamide
CID 52568041
N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114696521
1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
2-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-3-carboxamide
CID 107423053
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide
CID 113250333
4-bromo-1-ethyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 107422712
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80563001
2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422948
5-ethyl-N-(3-methylpyrrolidin-3-yl)furan-2-carboxamide
CID 107422841

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide (CID 107422969) is 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide is CC1(NC(=O)c2cccn2Cc2ccccc2)CCNC1.
What is the InChIKey of 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
The InChIKey is WTSADXKIRUSYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(9-10-18-13-17)19-16(21)15-8-5-11-20(15)12-14-6-3-2-4-7-14/h2-8,11,18H,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methylpyrrolidin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 107422969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).