N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide

C13H19N3O — CID 112741904

IUPACN-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
SMILESCc1ccnc(C)c1NC(=O)CC1CCCN1
InChIInChI=1S/C13H19N3O/c1-9-5-7-14-10(2)13(9)16-12(17)8-11-4-3-6-15-11/h5,7,11,15H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeyMAFBNOVNYXUVRJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.78
Rot. Bonds3

About N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide

N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 112741904) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
PubChem CID112741904
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide
SMILESCc1ccnc(C)c1NC(=O)CC1CCCN1
InChIInChI=1S/C13H19N3O/c1-9-5-7-14-10(2)13(9)16-12(17)8-11-4-3-6-15-11/h5,7,11,15H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeyMAFBNOVNYXUVRJ-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119844533
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681127
2-pyrrolidin-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688876
N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876328
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119697911
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119812384
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylacetamide
CID 119891569
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541327
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119689597
2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106638659

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide (CID 112741904) is N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide is Cc1ccnc(C)c1NC(=O)CC1CCCN1.
What is the InChIKey of N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is MAFBNOVNYXUVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-7-14-10(2)13(9)16-12(17)8-11-4-3-6-15-11/h5,7,11,15H,3-4,6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide?
N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-3-pyridinyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 112741904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).