N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C16H23N3O3 — CID 71897344

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)C2CC(=O)N(C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O3/c1-9(2)19-8-12(6-14(19)20)15(21)17-7-13-10(3)5-11(4)18-16(13)22/h5,9,12H,6-8H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyREMZCOAKMZZQES-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.86
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 71897344) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID71897344
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)C2CC(=O)N(C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C16H23N3O3/c1-9(2)19-8-12(6-14(19)20)15(21)17-7-13-10(3)5-11(4)18-16(13)22/h5,9,12H,6-8H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyREMZCOAKMZZQES-UHFFFAOYSA-N
XLogP0.86
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 71897344) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1cc(C)c(CNC(=O)C2CC(=O)N(C(C)C)C2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is REMZCOAKMZZQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-9(2)19-8-12(6-14(19)20)15(21)17-7-13-10(3)5-11(4)18-16(13)22/h5,9,12H,6-8H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 71897344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).