3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide

C21H26N4O2 — CID 56707701

IUPAC3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide
SMILESCC(=O)N(C)C1CCN(Cc2cccc(C(=O)Nc3cncc(C)c3)c2)C1
InChIInChI=1S/C21H26N4O2/c1-15-9-19(12-22-11-15)23-21(27)18-6-4-5-17(10-18)13-25-8-7-20(14-25)24(3)16(2)26/h4-6,9-12,20H,7-8,13-14H2,1-3H3,(H,23,27)
InChIKeyMJFMKUASSSYDCC-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.69
Rot. Bonds5

About 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide

3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide (PubChem CID 56707701) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide
PubChem CID56707701
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide
SMILESCC(=O)N(C)C1CCN(Cc2cccc(C(=O)Nc3cncc(C)c3)c2)C1
InChIInChI=1S/C21H26N4O2/c1-15-9-19(12-22-11-15)23-21(27)18-6-4-5-17(10-18)13-25-8-7-20(14-25)24(3)16(2)26/h4-6,9-12,20H,7-8,13-14H2,1-3H3,(H,23,27)
InChIKeyMJFMKUASSSYDCC-UHFFFAOYSA-N
XLogP2.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide (CID 56707701) is 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide is CC(=O)N(C)C1CCN(Cc2cccc(C(=O)Nc3cncc(C)c3)c2)C1.
What is the InChIKey of 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide?
The InChIKey is MJFMKUASSSYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-9-19(12-22-11-15)23-21(27)18-6-4-5-17(10-18)13-25-8-7-20(14-25)24(3)16(2)26/h4-6,9-12,20H,7-8,13-14H2,1-3H3,(H,23,27).
What are the key properties of 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide?
3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]-N-(5-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 56707701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).