N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide

C13H17N3O3 — CID 103716730

IUPACN-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C13H17N3O3/c1-8-6-11(17)9(7-15-8)13(19)16-5-3-4-10(16)12(18)14-2/h6-7,10H,3-5H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyDTIRJMBVAPSQOE-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.03
Rot. Bonds2

About N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide

N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 103716730) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID103716730
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C13H17N3O3/c1-8-6-11(17)9(7-15-8)13(19)16-5-3-4-10(16)12(18)14-2/h6-7,10H,3-5H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyDTIRJMBVAPSQOE-UHFFFAOYSA-N
XLogP0.03
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide (CID 103716730) is N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is DTIRJMBVAPSQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-6-11(17)9(7-15-8)13(19)16-5-3-4-10(16)12(18)14-2/h6-7,10H,3-5H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide?
N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103716730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).