bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate

C23H31N3O6 — CID 2999823

IUPACbis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESO=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CCCCC2)n1)NC1CCCCC1
InChIInChI=1S/C23H31N3O6/c27-20(24-16-8-3-1-4-9-16)14-31-22(29)18-12-7-13-19(26-18)23(30)32-15-21(28)25-17-10-5-2-6-11-17/h7,12-13,16-17H,1-6,8-11,14-15H2,(H,24,27)(H,25,28)
InChIKeyPBYDZFCXKMSOAZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.29
Rot. Bonds8

About bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate

bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate (PubChem CID 2999823) has the molecular formula C23H31N3O6 and a molecular weight of 445.52 g/mol. Its IUPAC name is bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
PubChem CID2999823
Molecular FormulaC23H31N3O6
Molecular Weight445.52 g/mol
Exact Mass445.22
IUPAC Namebis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESO=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CCCCC2)n1)NC1CCCCC1
InChIInChI=1S/C23H31N3O6/c27-20(24-16-8-3-1-4-9-16)14-31-22(29)18-12-7-13-19(26-18)23(30)32-15-21(28)25-17-10-5-2-6-11-17/h7,12-13,16-17H,1-6,8-11,14-15H2,(H,24,27)(H,25,28)
InChIKeyPBYDZFCXKMSOAZ-UHFFFAOYSA-N
XLogP2.29
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093
[2-(cycloheptylamino)-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 39967473
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 4137428
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(cyclopentylamino)-2-oxoethyl] anthracene-9-carboxylate
CID 2511548
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881

Frequently Asked Questions

What is the IUPAC name of bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The IUPAC name of bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate (CID 2999823) is bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The canonical SMILES for bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate is O=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CCCCC2)n1)NC1CCCCC1.
What is the InChIKey of bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The InChIKey is PBYDZFCXKMSOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6/c27-20(24-16-8-3-1-4-9-16)14-31-22(29)18-12-7-13-19(26-18)23(30)32-15-21(28)25-17-10-5-2-6-11-17/h7,12-13,16-17H,1-6,8-11,14-15H2,(H,24,27)(H,25,28).
What are the key properties of bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate has a molecular weight of 445.52 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 2999823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).