N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

C12H16N4O2 — CID 78982003

IUPACN-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C12H16N4O2/c1-16(2)11-9(4-3-5-13-11)15-12(18)8-6-10(17)14-7-8/h3-5,8H,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeySNZGZUHJPMWBJD-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.22
Rot. Bonds3

About N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982003) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982003
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)c1ncccc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C12H16N4O2/c1-16(2)11-9(4-3-5-13-11)15-12(18)8-6-10(17)14-7-8/h3-5,8H,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeySNZGZUHJPMWBJD-UHFFFAOYSA-N
XLogP0.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981788
N-[2-(dimethylamino)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 43706722
2-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390595
6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60941713
N-[2-(dimethylamino)-3-pyridinyl]azepane-2-carboxamide
CID 64563799
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981565
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide
CID 122319486
N-(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 83192399
N-(1H-indazol-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982095
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983267
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982597

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 78982003) is N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is CN(C)c1ncccc1NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SNZGZUHJPMWBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16(2)11-9(4-3-5-13-11)15-12(18)8-6-10(17)14-7-8/h3-5,8H,6-7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).