methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate

C14H20N2O4 — CID 43431490

IUPACmethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(OC)nc1)C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-5-8-14(2,13(18)20-4)16-12(17)10-6-7-11(19-3)15-9-10/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyIXTJAJLQQBJEDT-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.55
Rot. Bonds6

About methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate

methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate (PubChem CID 43431490) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
PubChem CID43431490
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1ccc(OC)nc1)C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-5-8-14(2,13(18)20-4)16-12(17)10-6-7-11(19-3)15-9-10/h6-7,9H,5,8H2,1-4H3,(H,16,17)
InChIKeyIXTJAJLQQBJEDT-UHFFFAOYSA-N
XLogP1.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate (CID 43431490) is methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1ccc(OC)nc1)C(=O)OC.
What is the InChIKey of methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate?
The InChIKey is IXTJAJLQQBJEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-8-14(2,13(18)20-4)16-12(17)10-6-7-11(19-3)15-9-10/h6-7,9H,5,8H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate?
methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate has a molecular weight of 280.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxypyridine-3-carbonyl)amino]-2-methylpentanoate is sourced from PubChem (CID 43431490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).