pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate

C20H29N3O6 — CID 22363202

IUPACpentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate
SMILESCCC(CC)OC(=O)c1cnc(OC(=O)NC(=O)CN)c(OC2CCCCC2)c1
InChIInChI=1S/C20H29N3O6/c1-3-14(4-2)28-19(25)13-10-16(27-15-8-6-5-7-9-15)18(22-12-13)29-20(26)23-17(24)11-21/h10,12,14-15H,3-9,11,21H2,1-2H3,(H,23,24,26)
InChIKeyADCYEISWPDWEFP-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.71
Rot. Bonds8

About pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate

pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate (PubChem CID 22363202) has the molecular formula C20H29N3O6 and a molecular weight of 407.47 g/mol. Its IUPAC name is pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate.

Molecular Properties

Compound Namepentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate
PubChem CID22363202
Molecular FormulaC20H29N3O6
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Namepentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate
SMILESCCC(CC)OC(=O)c1cnc(OC(=O)NC(=O)CN)c(OC2CCCCC2)c1
InChIInChI=1S/C20H29N3O6/c1-3-14(4-2)28-19(25)13-10-16(27-15-8-6-5-7-9-15)18(22-12-13)29-20(26)23-17(24)11-21/h10,12,14-15H,3-9,11,21H2,1-2H3,(H,23,24,26)
InChIKeyADCYEISWPDWEFP-UHFFFAOYSA-N
XLogP2.71
TPSA129.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate?
The IUPAC name of pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate (CID 22363202) is pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate.
What is the SMILES notation for pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate?
The canonical SMILES for pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate is CCC(CC)OC(=O)c1cnc(OC(=O)NC(=O)CN)c(OC2CCCCC2)c1.
What is the InChIKey of pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate?
The InChIKey is ADCYEISWPDWEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6/c1-3-14(4-2)28-19(25)13-10-16(27-15-8-6-5-7-9-15)18(22-12-13)29-20(26)23-17(24)11-21/h10,12,14-15H,3-9,11,21H2,1-2H3,(H,23,24,26).
What are the key properties of pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate?
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-cyclohexyloxypyridine-3-carboxylate is sourced from PubChem (CID 22363202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).