2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate

C14H19N2O2- — CID 21451098

IUPAC2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate
SMILESCCN(c1ncccc1C(=O)[O-])C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-2-16(11-7-4-3-5-8-11)13-12(14(17)18)9-6-10-15-13/h6,9-11H,2-5,7-8H2,1H3,(H,17,18)/p-1
InChIKeyZGPLSHBOQNETHB-UHFFFAOYSA-M
MW247.32 g/mol
LogP1.60
Rot. Bonds4

About 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate

2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate (PubChem CID 21451098) has the molecular formula C14H19N2O2- and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate
PubChem CID21451098
Molecular FormulaC14H19N2O2-
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate
SMILESCCN(c1ncccc1C(=O)[O-])C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-2-16(11-7-4-3-5-8-11)13-12(14(17)18)9-6-10-15-13/h6,9-11H,2-5,7-8H2,1H3,(H,17,18)/p-1
InChIKeyZGPLSHBOQNETHB-UHFFFAOYSA-M
XLogP1.60
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-N-ethylpyridine-3-carboxamide
CID 18069572
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-3-pyridinyl]ethanone
CID 114055612
[2-[cyclopropyl(ethyl)amino]-3-pyridinyl]methanol
CID 61257683
2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carboxylic acid
CID 102863145
N-cyclohexyl-N-methyl-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 141207977
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
N-cyclopentyl-2-(diethylamino)pyridine-3-carboxamide
CID 5077246
3-[cyclopropyl(ethyl)amino]pyrazine-2-carboxylic acid
CID 62702336
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
2-[cyclopentyl(ethyl)amino]-3-nitrobenzoic acid
CID 115932177
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
3-[cyclopentyl(ethyl)amino]pyridazine-4-carbothioamide
CID 80511920

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate?
The IUPAC name of 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate (CID 21451098) is 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate?
The canonical SMILES for 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate is CCN(c1ncccc1C(=O)[O-])C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate?
The InChIKey is ZGPLSHBOQNETHB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20N2O2/c1-2-16(11-7-4-3-5-8-11)13-12(14(17)18)9-6-10-15-13/h6,9-11H,2-5,7-8H2,1H3,(H,17,18)/p-1.
What are the key properties of 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate?
2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate has a molecular weight of 247.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 21451098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).