1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

C19H28N4O2 — CID 56806046

IUPAC1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCC1CCN(CCNC(=O)C2CC(=O)N(C)C2c2cccnc2)CC1
InChIInChI=1S/C19H28N4O2/c1-14-5-9-23(10-6-14)11-8-21-19(25)16-12-17(24)22(2)18(16)15-4-3-7-20-13-15/h3-4,7,13-14,16,18H,5-6,8-12H2,1-2H3,(H,21,25)
InChIKeyRBFRDXURPAHPPE-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.45
Rot. Bonds5

About 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide

1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (PubChem CID 56806046) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
PubChem CID56806046
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SMILESCC1CCN(CCNC(=O)C2CC(=O)N(C)C2c2cccnc2)CC1
InChIInChI=1S/C19H28N4O2/c1-14-5-9-23(10-6-14)11-8-21-19(25)16-12-17(24)22(2)18(16)15-4-3-7-20-13-15/h3-4,7,13-14,16,18H,5-6,8-12H2,1-2H3,(H,21,25)
InChIKeyRBFRDXURPAHPPE-UHFFFAOYSA-N
XLogP1.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide (CID 56806046) is 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is CC1CCN(CCNC(=O)C2CC(=O)N(C)C2c2cccnc2)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is RBFRDXURPAHPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-5-9-23(10-6-14)11-8-21-19(25)16-12-17(24)22(2)18(16)15-4-3-7-20-13-15/h3-4,7,13-14,16,18H,5-6,8-12H2,1-2H3,(H,21,25).
What are the key properties of 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide?
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56806046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).