4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide

C13H19N3O2 — CID 54943679

IUPAC4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC(O)CN1
InChIInChI=1S/C13H19N3O2/c1-16(7-4-10-2-5-14-6-3-10)13(18)12-8-11(17)9-15-12/h2-3,5-6,11-12,15,17H,4,7-9H2,1H3
InChIKeyQFEFQLDZXPRTSV-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.19
Rot. Bonds4

About 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide

4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 54943679) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
PubChem CID54943679
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC(O)CN1
InChIInChI=1S/C13H19N3O2/c1-16(7-4-10-2-5-14-6-3-10)13(18)12-8-11(17)9-15-12/h2-3,5-6,11-12,15,17H,4,7-9H2,1H3
InChIKeyQFEFQLDZXPRTSV-UHFFFAOYSA-N
XLogP-0.19
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 124516580
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
(2R,4R)-4-hydroxy-N-methyl-N-(2-naphthalen-1-ylethyl)pyrrolidine-2-carboxamide
CID 124726613
4-methoxy-N-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 61215235
N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 60936759
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
N-[(4-cyanophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54871079
(2R,4S)-N-[3-(4-chlorophenoxy)propyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138836
4-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 63207272
N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
CID 110852600
5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687831

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide (CID 54943679) is 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide is CN(CCc1ccncc1)C(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is QFEFQLDZXPRTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(7-4-10-2-5-14-6-3-10)13(18)12-8-11(17)9-15-12/h2-3,5-6,11-12,15,17H,4,7-9H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54943679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).