methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate

C13H18N2O4 — CID 71557435

IUPACmethyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate
SMILESCCCC(C)(O)C(=O)Nc1ccnc(C(=O)OC)c1
InChIInChI=1S/C13H18N2O4/c1-4-6-13(2,18)12(17)15-9-5-7-14-10(8-9)11(16)19-3/h5,7-8,18H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyOOOHCRIBXSILRH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.36
Rot. Bonds5

About methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate

methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate (PubChem CID 71557435) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate
PubChem CID71557435
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate
SMILESCCCC(C)(O)C(=O)Nc1ccnc(C(=O)OC)c1
InChIInChI=1S/C13H18N2O4/c1-4-6-13(2,18)12(17)15-9-5-7-14-10(8-9)11(16)19-3/h5,7-8,18H,4,6H2,1-3H3,(H,14,15,17)
InChIKeyOOOHCRIBXSILRH-UHFFFAOYSA-N
XLogP1.36
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate (CID 71557435) is methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate is CCCC(C)(O)C(=O)Nc1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate?
The InChIKey is OOOHCRIBXSILRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-6-13(2,18)12(17)15-9-5-7-14-10(8-9)11(16)19-3/h5,7-8,18H,4,6H2,1-3H3,(H,14,15,17).
What are the key properties of methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate?
methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-hydroxy-2-methylpentanoyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 71557435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).