ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate

C20H32N2O2 — CID 19032571

IUPACethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC2CCC(C(C)(C)CC)CC2)ccnc1C
InChIInChI=1S/C20H32N2O2/c1-6-20(4,5)15-8-10-16(11-9-15)22-17-12-13-21-14(3)18(17)19(23)24-7-2/h12-13,15-16H,6-11H2,1-5H3,(H,21,22)
InChIKeyJHYZRLBZRWIZTB-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.97
Rot. Bonds6

About ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate

ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate (PubChem CID 19032571) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate
PubChem CID19032571
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nameethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC2CCC(C(C)(C)CC)CC2)ccnc1C
InChIInChI=1S/C20H32N2O2/c1-6-20(4,5)15-8-10-16(11-9-15)22-17-12-13-21-14(3)18(17)19(23)24-7-2/h12-13,15-16H,6-11H2,1-5H3,(H,21,22)
InChIKeyJHYZRLBZRWIZTB-UHFFFAOYSA-N
XLogP4.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate (CID 19032571) is ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate is CCOC(=O)c1c(NC2CCC(C(C)(C)CC)CC2)ccnc1C.
What is the InChIKey of ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate?
The InChIKey is JHYZRLBZRWIZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-6-20(4,5)15-8-10-16(11-9-15)22-17-12-13-21-14(3)18(17)19(23)24-7-2/h12-13,15-16H,6-11H2,1-5H3,(H,21,22).
What are the key properties of ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate?
ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate has a molecular weight of 332.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 19032571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).