[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

C19H27N3O3 — CID 55441256

IUPAC[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCCCC1)c1cccnc1N1CCCC1
InChIInChI=1S/C19H27N3O3/c23-17(21-11-4-2-1-3-5-12-21)15-25-19(24)16-9-8-10-20-18(16)22-13-6-7-14-22/h8-10H,1-7,11-15H2
InChIKeyGVSKNDVFXBHAJS-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.63
Rot. Bonds4

About [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 55441256) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID55441256
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCCCC1)c1cccnc1N1CCCC1
InChIInChI=1S/C19H27N3O3/c23-17(21-11-4-2-1-3-5-12-21)15-25-19(24)16-9-8-10-20-18(16)22-13-6-7-14-22/h8-10H,1-7,11-15H2
InChIKeyGVSKNDVFXBHAJS-UHFFFAOYSA-N
XLogP2.63
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441306
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441207
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
(2-oxo-2-piperidin-1-ylethyl) 2-phenylsulfanylpyridine-3-carboxylate
CID 16515105
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55527421
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 9381176
2-ethoxyethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55569349
(2-oxo-2-piperidin-1-ylethyl) 1,3-benzoxazole-4-carboxylate
CID 23831647
[2-(2,5-difluorophenyl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 43056440
3-cyanopropyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55567831
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354

Frequently Asked Questions

What is the IUPAC name of [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate (CID 55441256) is [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate is O=C(OCC(=O)N1CCCCCCC1)c1cccnc1N1CCCC1.
What is the InChIKey of [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is GVSKNDVFXBHAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-17(21-11-4-2-1-3-5-12-21)15-25-19(24)16-9-8-10-20-18(16)22-13-6-7-14-22/h8-10H,1-7,11-15H2.
What are the key properties of [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate?
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 55441256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).