(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C13H19N3O — CID 93375226

IUPAC(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C13H19N3O/c1-2-16(10-11-5-8-14-9-6-11)13(17)12-4-3-7-15-12/h5-6,8-9,12,15H,2-4,7,10H2,1H3/t12-/m1/s1
InChIKeyMDAMAPHIMYOLND-GFCCVEGCSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds4

About (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 93375226) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID93375226
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)[C@H]1CCCN1
InChIInChI=1S/C13H19N3O/c1-2-16(10-11-5-8-14-9-6-11)13(17)12-4-3-7-15-12/h5-6,8-9,12,15H,2-4,7,10H2,1H3/t12-/m1/s1
InChIKeyMDAMAPHIMYOLND-GFCCVEGCSA-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

(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
N-ethyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60738708
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119318530
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 64562460
(2R)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 104901002
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
(2S)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
CID 61164827
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 93375226) is (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is CCN(Cc1ccncc1)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is MDAMAPHIMYOLND-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-16(10-11-5-8-14-9-6-11)13(17)12-4-3-7-15-12/h5-6,8-9,12,15H,2-4,7,10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide 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 (2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 93375226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).