3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile

C14H17N3O2 — CID 146567738

IUPAC3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile
SMILESN#CCCc1ncccc1C(=O)N1CCCC1CO
InChIInChI=1S/C14H17N3O2/c15-7-1-6-13-12(5-2-8-16-13)14(19)17-9-3-4-11(17)10-18/h2,5,8,11,18H,1,3-4,6,9-10H2
InChIKeyYEICURIFGBLSKV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.13
Rot. Bonds4

About 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile

3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile (PubChem CID 146567738) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile.

Molecular Properties

Compound Name3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile
PubChem CID146567738
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile
SMILESN#CCCc1ncccc1C(=O)N1CCCC1CO
InChIInChI=1S/C14H17N3O2/c15-7-1-6-13-12(5-2-8-16-13)14(19)17-9-3-4-11(17)10-18/h2,5,8,11,18H,1,3-4,6,9-10H2
InChIKeyYEICURIFGBLSKV-UHFFFAOYSA-N
XLogP1.13
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate
CID 166772197
2-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]sulfanylacetonitrile
CID 66260578
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 66261712
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849882
methyl 2-(2-cyanoethyl)pyridine-3-carboxylate
CID 146567740
[2-(dimethylamino)phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473297
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421
[2-(bromomethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 80658457
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile?
The IUPAC name of 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile (CID 146567738) is 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile.
What is the SMILES notation for 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile?
The canonical SMILES for 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile is N#CCCc1ncccc1C(=O)N1CCCC1CO.
What is the InChIKey of 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile?
The InChIKey is YEICURIFGBLSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-7-1-6-13-12(5-2-8-16-13)14(19)17-9-3-4-11(17)10-18/h2,5,8,11,18H,1,3-4,6,9-10H2.
What are the key properties of 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile?
3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile has a molecular weight of 259.31 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile is sourced from PubChem (CID 146567738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).