methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate

C21H30N2O5 — CID 71087666

IUPACmethyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(=O)OC
InChIInChI=1S/C21H30N2O5/c1-4-21(5-2,20(25)26-3)23-18(24)17-11-10-16(14-8-9-14)19(22-17)28-13-15-7-6-12-27-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,23,24)
InChIKeyHYMPXNQTRBUGCF-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.98
Rot. Bonds9

About methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate

methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate (PubChem CID 71087666) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
PubChem CID71087666
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Namemethyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(=O)OC
InChIInChI=1S/C21H30N2O5/c1-4-21(5-2,20(25)26-3)23-18(24)17-11-10-16(14-8-9-14)19(22-17)28-13-15-7-6-12-27-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,23,24)
InChIKeyHYMPXNQTRBUGCF-UHFFFAOYSA-N
XLogP2.98
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The IUPAC name of methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate (CID 71087666) is methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate.
What is the SMILES notation for methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The canonical SMILES for methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate is CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CCCO2)n1)C(=O)OC.
What is the InChIKey of methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The InChIKey is HYMPXNQTRBUGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-4-21(5-2,20(25)26-3)23-18(24)17-11-10-16(14-8-9-14)19(22-17)28-13-15-7-6-12-27-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,23,24).
What are the key properties of methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate has a molecular weight of 390.48 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-cyclopropyl-6-(oxolan-2-ylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 71087666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).