4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide

C17H21N3O — CID 17455487

IUPAC4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide
SMILESCn1cccc1C1CCCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-19-10-2-4-15(19)16-5-3-11-20(16)12-13-6-8-14(9-7-13)17(18)21/h2,4,6-10,16H,3,5,11-12H2,1H3,(H2,18,21)
InChIKeyPNKUZSSBQFLENV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.46
Rot. Bonds4

About 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide

4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide (PubChem CID 17455487) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide
PubChem CID17455487
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide
SMILESCn1cccc1C1CCCN1Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-19-10-2-4-15(19)16-5-3-11-20(16)12-13-6-8-14(9-7-13)17(18)21/h2,4,6-10,16H,3,5,11-12H2,1H3,(H2,18,21)
InChIKeyPNKUZSSBQFLENV-UHFFFAOYSA-N
XLogP2.46
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 94026641
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CID 175807196
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CID 124818050
N-[(3-chlorophenyl)methyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975591
1-cyclopropyl-5-[[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 95581120
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide (CID 17455487) is 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide is Cn1cccc1C1CCCN1Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is PNKUZSSBQFLENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-10-2-4-15(19)16-5-3-11-20(16)12-13-6-8-14(9-7-13)17(18)21/h2,4,6-10,16H,3,5,11-12H2,1H3,(H2,18,21).
What are the key properties of 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide?
4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 283.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 17455487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).