methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate

C20H28N2O5 — CID 71087340

IUPACmethyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1
InChIInChI=1S/C20H28N2O5/c1-20(2,19(24)25-3)22-17(23)16-7-6-15(14-8-10-26-11-9-14)18(21-16)27-12-13-4-5-13/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,22,23)
InChIKeyPCLSDGCRDLUBBX-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.45
Rot. Bonds7

About methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate

methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate (PubChem CID 71087340) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate
PubChem CID71087340
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Namemethyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1
InChIInChI=1S/C20H28N2O5/c1-20(2,19(24)25-3)22-17(23)16-7-6-15(14-8-10-26-11-9-14)18(21-16)27-12-13-4-5-13/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,22,23)
InChIKeyPCLSDGCRDLUBBX-UHFFFAOYSA-N
XLogP2.45
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate (CID 71087340) is methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1.
What is the InChIKey of methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
The InChIKey is PCLSDGCRDLUBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-20(2,19(24)25-3)22-17(23)16-7-6-15(14-8-10-26-11-9-14)18(21-16)27-12-13-4-5-13/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,22,23).
What are the key properties of methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate has a molecular weight of 376.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(cyclopropylmethoxy)-5-(oxan-4-yl)pyridine-2-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 71087340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).