3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide

C13H17N3O2 — CID 174197870

IUPAC3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C13H17N3O2/c1-9-5-4-6-10(14-9)15-12(18)16-8-7-13(2,3)11(16)17/h4-6H,7-8H2,1-3H3,(H,14,15,18)
InChIKeyNBPJANLWZAYDQV-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.18
Rot. Bonds1

About 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide

3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide (PubChem CID 174197870) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide
PubChem CID174197870
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(C)(C)C2=O)n1
InChIInChI=1S/C13H17N3O2/c1-9-5-4-6-10(14-9)15-12(18)16-8-7-13(2,3)11(16)17/h4-6H,7-8H2,1-3H3,(H,14,15,18)
InChIKeyNBPJANLWZAYDQV-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5,7-tetramethyl-N-(6-methyl-2-pyridinyl)-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731167
1-[(6-methyl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097117
2-methyl-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 127513725
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
1-acetyl-3,3-dimethylpyrrolidin-2-one
CID 175236752
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
2-ethyl-N-(6-methyl-2-pyridinyl)-3-oxopiperazine-1-carboxamide
CID 75484734
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)oxane-4-carboxamide;dihydrochloride
CID 120937717
1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887379
4-(3-chloro-4-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 75507946
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 43042915
1-(1-hydroxy-2-oxopiperidin-3-yl)-3-(6-methyl-2-pyridinyl)urea
CID 126839937

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide (CID 174197870) is 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(C)(C)C2=O)n1.
What is the InChIKey of 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide?
The InChIKey is NBPJANLWZAYDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-5-4-6-10(14-9)15-12(18)16-8-7-13(2,3)11(16)17/h4-6H,7-8H2,1-3H3,(H,14,15,18).
What are the key properties of 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide?
3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 174197870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).