(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone

C16H18N2O4 — CID 91661571

IUPAC(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
SMILESCOCc1ccc(C2CCCN2C(=O)c2ncccc2O)o1
InChIInChI=1S/C16H18N2O4/c1-21-10-11-6-7-14(22-11)12-4-3-9-18(12)16(20)15-13(19)5-2-8-17-15/h2,5-8,12,19H,3-4,9-10H2,1H3
InChIKeyJVECNDFQNGSYGI-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.50
Rot. Bonds4

About (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone

(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 91661571) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
PubChem CID91661571
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
SMILESCOCc1ccc(C2CCCN2C(=O)c2ncccc2O)o1
InChIInChI=1S/C16H18N2O4/c1-21-10-11-6-7-14(22-11)12-4-3-9-18(12)16(20)15-13(19)5-2-8-17-15/h2,5-8,12,19H,3-4,9-10H2,1H3
InChIKeyJVECNDFQNGSYGI-UHFFFAOYSA-N
XLogP2.50
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690417
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 124874162
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 136532778
[2-chloro-6-(methylamino)-4-pyridinyl]-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 97309825
2-(dimethylamino)-1-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]ethanone
CID 86796200
2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 154752897
(2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 99637404
[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]methanone
CID 99715113
(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 99636971
4-[[2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023822
(3-hydroxy-2-pyridinyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 99697978
2-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]-N-propan-2-ylpyridine-3-sulfonamide
CID 139010685

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone (CID 91661571) is (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone is COCc1ccc(C2CCCN2C(=O)c2ncccc2O)o1.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is JVECNDFQNGSYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-21-10-11-6-7-14(22-11)12-4-3-9-18(12)16(20)15-13(19)5-2-8-17-15/h2,5-8,12,19H,3-4,9-10H2,1H3.
What are the key properties of (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone?
(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 302.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91661571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).