4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

C14H20N2O3 — CID 81244446

IUPAC4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCCC2CCCO)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-8-13(12(9-15-10)14(18)19)16-6-2-4-11(16)5-3-7-17/h8-9,11,17H,2-7H2,1H3,(H,18,19)
InChIKeyIZWIEOQRDDOVLH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds5

About 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid

4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 81244446) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID81244446
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCCC2CCCO)c(C(=O)O)cn1
InChIInChI=1S/C14H20N2O3/c1-10-8-13(12(9-15-10)14(18)19)16-6-2-4-11(16)5-3-7-17/h8-9,11,17H,2-7H2,1H3,(H,18,19)
InChIKeyIZWIEOQRDDOVLH-UHFFFAOYSA-N
XLogP1.83
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid (CID 81244446) is 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is Cc1cc(N2CCCC2CCCO)c(C(=O)O)cn1.
What is the InChIKey of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is IZWIEOQRDDOVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-8-13(12(9-15-10)14(18)19)16-6-2-4-11(16)5-3-7-17/h8-9,11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid?
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).