N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide

C13H19N3O — CID 61372383

IUPACN-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
SMILESCN(Cc1ccncc1)C(=O)CC1CCCN1
InChIInChI=1S/C13H19N3O/c1-16(10-11-4-7-14-8-5-11)13(17)9-12-3-2-6-15-12/h4-5,7-8,12,15H,2-3,6,9-10H2,1H3
InChIKeyOFQGOFMYIMKKMF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds4

About N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide

N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide (PubChem CID 61372383) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
PubChem CID61372383
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
SMILESCN(Cc1ccncc1)C(=O)CC1CCCN1
InChIInChI=1S/C13H19N3O/c1-16(10-11-4-7-14-8-5-11)13(17)9-12-3-2-6-15-12/h4-5,7-8,12,15H,2-3,6,9-10H2,1H3
InChIKeyOFQGOFMYIMKKMF-UHFFFAOYSA-N
XLogP1.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 80519990
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
1-[methyl(pyridin-4-yl)amino]-3-[(2R)-pyrrolidin-2-yl]propan-2-one
CID 57134127
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 64519602
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760008
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119896878

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide (CID 61372383) is N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide is CN(Cc1ccncc1)C(=O)CC1CCCN1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is OFQGOFMYIMKKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(10-11-4-7-14-8-5-11)13(17)9-12-3-2-6-15-12/h4-5,7-8,12,15H,2-3,6,9-10H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide?
N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61372383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).