ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate

C16H24N2O2 — CID 64742881

IUPACethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCC(C)C(C)C2)nc1
InChIInChI=1S/C16H24N2O2/c1-4-20-16(19)13-6-8-15(17-10-13)18-14-7-5-11(2)12(3)9-14/h6,8,10-12,14H,4-5,7,9H2,1-3H3,(H,17,18)
InChIKeyCTSJNIJKBUTZDY-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.49
Rot. Bonds4

About ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate

ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate (PubChem CID 64742881) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate
PubChem CID64742881
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC2CCC(C)C(C)C2)nc1
InChIInChI=1S/C16H24N2O2/c1-4-20-16(19)13-6-8-15(17-10-13)18-14-7-5-11(2)12(3)9-14/h6,8,10-12,14H,4-5,7,9H2,1-3H3,(H,17,18)
InChIKeyCTSJNIJKBUTZDY-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate (CID 64742881) is ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC2CCC(C)C(C)C2)nc1.
What is the InChIKey of ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate?
The InChIKey is CTSJNIJKBUTZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-20-16(19)13-6-8-15(17-10-13)18-14-7-5-11(2)12(3)9-14/h6,8,10-12,14H,4-5,7,9H2,1-3H3,(H,17,18).
What are the key properties of ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate?
ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3,4-dimethylcyclohexyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 64742881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).