3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide

C18H21N3O2 — CID 56911925

IUPAC3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1c[nH]c(C(=O)N2CCC(Cc3cccc(C(N)=O)c3)C2)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-16(20-10-12)18(23)21-6-5-14(11-21)8-13-3-2-4-15(9-13)17(19)22/h2-4,7,9-10,14,20H,5-6,8,11H2,1H3,(H2,19,22)
InChIKeyHINYQXNASUOFFM-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.13
Rot. Bonds4

About 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide

3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 56911925) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID56911925
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1c[nH]c(C(=O)N2CCC(Cc3cccc(C(N)=O)c3)C2)c1
InChIInChI=1S/C18H21N3O2/c1-12-7-16(20-10-12)18(23)21-6-5-14(11-21)8-13-3-2-4-15(9-13)17(19)22/h2-4,7,9-10,14,20H,5-6,8,11H2,1H3,(H2,19,22)
InChIKeyHINYQXNASUOFFM-UHFFFAOYSA-N
XLogP2.13
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[[(3S)-1-[2-(2,3-dimethylphenoxy)acetyl]pyrrolidin-3-yl]methyl]benzamide
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3-[[1-[2-(benzotriazol-2-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide (CID 56911925) is 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide is Cc1c[nH]c(C(=O)N2CCC(Cc3cccc(C(N)=O)c3)C2)c1.
What is the InChIKey of 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is HINYQXNASUOFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-7-16(20-10-12)18(23)21-6-5-14(11-21)8-13-3-2-4-15(9-13)17(19)22/h2-4,7,9-10,14,20H,5-6,8,11H2,1H3,(H2,19,22).
What are the key properties of 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 311.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 56911925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).