N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide

C21H33N5O2 — CID 166277929

IUPACN-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide
SMILESCCCN(C)CC1CCN(C(=O)C(=O)N(C)C2CCN(c3ccncc3)C2)C1
InChIInChI=1S/C21H33N5O2/c1-4-11-23(2)14-17-7-12-26(15-17)21(28)20(27)24(3)19-8-13-25(16-19)18-5-9-22-10-6-18/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3
InChIKeyFJDXTSVJDUHQNR-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.31
Rot. Bonds6

About N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide

N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide (PubChem CID 166277929) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide
PubChem CID166277929
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC NameN-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide
SMILESCCCN(C)CC1CCN(C(=O)C(=O)N(C)C2CCN(c3ccncc3)C2)C1
InChIInChI=1S/C21H33N5O2/c1-4-11-23(2)14-17-7-12-26(15-17)21(28)20(27)24(3)19-8-13-25(16-19)18-5-9-22-10-6-18/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3
InChIKeyFJDXTSVJDUHQNR-UHFFFAOYSA-N
XLogP1.31
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide (CID 166277929) is N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide is CCCN(C)CC1CCN(C(=O)C(=O)N(C)C2CCN(c3ccncc3)C2)C1.
What is the InChIKey of N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide?
The InChIKey is FJDXTSVJDUHQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-4-11-23(2)14-17-7-12-26(15-17)21(28)20(27)24(3)19-8-13-25(16-19)18-5-9-22-10-6-18/h5-6,9-10,17,19H,4,7-8,11-16H2,1-3H3.
What are the key properties of N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide?
N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide has a molecular weight of 387.53 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-2-oxo-N-(1-pyridin-4-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 166277929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).