cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

C17H24N2O2 — CID 55527421

IUPACcyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCC1CCCCC1)c1cccnc1N1CCCC1
InChIInChI=1S/C17H24N2O2/c20-17(21-13-14-7-2-1-3-8-14)15-9-6-10-18-16(15)19-11-4-5-12-19/h6,9-10,14H,1-5,7-8,11-13H2
InChIKeyLIFAGSBNXBOVHE-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.42
Rot. Bonds4

About cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 55527421) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID55527421
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namecyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCC1CCCCC1)c1cccnc1N1CCCC1
InChIInChI=1S/C17H24N2O2/c20-17(21-13-14-7-2-1-3-8-14)15-9-6-10-18-16(15)19-11-4-5-12-19/h6,9-10,14H,1-5,7-8,11-13H2
InChIKeyLIFAGSBNXBOVHE-UHFFFAOYSA-N
XLogP3.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexylmethyl 2-fluoropyridine-3-carboxylate
CID 107271838
[2-(azocan-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441256
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441306
2-ethoxyethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55569349
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
3-cyanopropyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55567831
[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 25437503
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134413006
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441207
cyclopentylmethyl 3-aminopyridine-2-carboxylate
CID 103993262

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate (CID 55527421) is cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate is O=C(OCC1CCCCC1)c1cccnc1N1CCCC1.
What is the InChIKey of cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is LIFAGSBNXBOVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(21-13-14-7-2-1-3-8-14)15-9-6-10-18-16(15)19-11-4-5-12-19/h6,9-10,14H,1-5,7-8,11-13H2.
What are the key properties of cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 55527421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).