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

C14H19N3O3 — CID 95135842

IUPAC(3S)-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-/m0/s1
InChIKeyFSNXIPDLTCZUNG-JTQLQIEISA-N
MW277.32 g/mol
LogP0.09
Rot. Bonds3

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

(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95135842) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95135842
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3S)-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-/m0/s1
InChIKeyFSNXIPDLTCZUNG-JTQLQIEISA-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

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

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Related Compounds

(3R)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95764725
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26954643
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
CID 95976051
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95976062
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006
N-[(3-hydroxycyclobutyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 66004114
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95150723
3-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 43354792
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239
2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 126605003
5-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 155965417
(2R,3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenyloxane-3-carboxamide
CID 97067524

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 95135842) is (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-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 (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FSNXIPDLTCZUNG-JTQLQIEISA-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-/m0/s1.
What are the key properties of (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3S)-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 (3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95135842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).