[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate

C15H20N2O3 — CID 3155683

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)c1ccccn1
InChIInChI=1S/C15H20N2O3/c1-11-6-2-3-7-12(11)17-14(18)10-20-15(19)13-8-4-5-9-16-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyJAFSUJYFYZMYFE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.93
Rot. Bonds4

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 3155683) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID3155683
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)c1ccccn1
InChIInChI=1S/C15H20N2O3/c1-11-6-2-3-7-12(11)17-14(18)10-20-15(19)13-8-4-5-9-16-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,17,18)
InChIKeyJAFSUJYFYZMYFE-UHFFFAOYSA-N
XLogP1.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate (CID 3155683) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate is CC1CCCCC1NC(=O)COC(=O)c1ccccn1.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is JAFSUJYFYZMYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-6-2-3-7-12(11)17-14(18)10-20-15(19)13-8-4-5-9-16-13/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,17,18).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 3155683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).