2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide

C13H19N3O2 — CID 111427847

IUPAC2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1cccnc1)N1CCCC1CO
InChIInChI=1S/C13H19N3O2/c17-10-12-4-2-8-16(12)13(18)15-7-5-11-3-1-6-14-9-11/h1,3,6,9,12,17H,2,4-5,7-8,10H2,(H,15,18)
InChIKeyCUTPBZJXYVLENV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.79
Rot. Bonds4

About 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide

2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 111427847) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide
PubChem CID111427847
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCc1cccnc1)N1CCCC1CO
InChIInChI=1S/C13H19N3O2/c17-10-12-4-2-8-16(12)13(18)15-7-5-11-3-1-6-14-9-11/h1,3,6,9,12,17H,2,4-5,7-8,10H2,(H,15,18)
InChIKeyCUTPBZJXYVLENV-UHFFFAOYSA-N
XLogP0.79
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 79030214
2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61203852
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
N-(2-phenylethyl)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146131423
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428120
(2S)-N-[2-(3,5-dimethoxyphenyl)ethyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 126428815
(2S)-N-[2-(2,4-dimethylphenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428098
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 61411290
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide (CID 111427847) is 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide is O=C(NCCc1cccnc1)N1CCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is CUTPBZJXYVLENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-10-12-4-2-8-16(12)13(18)15-7-5-11-3-1-6-14-9-11/h1,3,6,9,12,17H,2,4-5,7-8,10H2,(H,15,18).
What are the key properties of 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).