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

C14H19N3O3 — CID 95135840

IUPAC(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(C)C2)c(=O)[nH]1
InChIInChI=1S/C14H19N3O3/c1-8-4-9(2)16-14(20)11(8)6-15-13(19)10-5-12(18)17(3)7-10/h4,10H,5-7H2,1-3H3,(H,15,19)(H,16,20)/t10-/m1/s1
InChIKeyFSNXIPDLTCZUNG-SNVBAGLBSA-N
MW277.32 g/mol
LogP0.09
Rot. Bonds3

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

(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95135840) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95135840
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(C)C2)c(=O)[nH]1
InChIInChI=1S/C14H19N3O3/c1-8-4-9(2)16-14(20)11(8)6-15-13(19)10-5-12(18)17(3)7-10/h4,10H,5-7H2,1-3H3,(H,15,19)(H,16,20)/t10-/m1/s1
InChIKeyFSNXIPDLTCZUNG-SNVBAGLBSA-N
XLogP0.09
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 95135840) is (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(C)C2)c(=O)[nH]1.
What is the InChIKey of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FSNXIPDLTCZUNG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-4-9(2)16-14(20)11(8)6-15-13(19)10-5-12(18)17(3)7-10/h4,10H,5-7H2,1-3H3,(H,15,19)(H,16,20)/t10-/m1/s1.
What are the key properties of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95135840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).