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

C20H28N2O4 — CID 71087351

IUPACmethyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)OC
InChIInChI=1S/C20H28N2O4/c1-4-20(5-2,19(24)25-3)22-17(23)16-11-10-15(14-8-9-14)18(21-16)26-12-13-6-7-13/h10-11,13-14H,4-9,12H2,1-3H3,(H,22,23)
InChIKeyGZFALHNMNSLDGP-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.21
Rot. Bonds9

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

methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate (PubChem CID 71087351) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
PubChem CID71087351
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Namemethyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate
SMILESCCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)OC
InChIInChI=1S/C20H28N2O4/c1-4-20(5-2,19(24)25-3)22-17(23)16-11-10-15(14-8-9-14)18(21-16)26-12-13-6-7-13/h10-11,13-14H,4-9,12H2,1-3H3,(H,22,23)
InChIKeyGZFALHNMNSLDGP-UHFFFAOYSA-N
XLogP3.21
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The IUPAC name of methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate (CID 71087351) is methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate.
What is the SMILES notation for methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The canonical SMILES for methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate is CCC(CC)(NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)C(=O)OC.
What is the InChIKey of methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
The InChIKey is GZFALHNMNSLDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-4-20(5-2,19(24)25-3)22-17(23)16-11-10-15(14-8-9-14)18(21-16)26-12-13-6-7-13/h10-11,13-14H,4-9,12H2,1-3H3,(H,22,23).
What are the key properties of methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate?
methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate has a molecular weight of 360.45 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2-ethylbutanoate is sourced from PubChem (CID 71087351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).