methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate

C12H16N2O3 — CID 130219539

IUPACmethyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)CC(C)C)n1
InChIInChI=1S/C12H16N2O3/c1-8(2)7-11(15)14-10-6-4-5-9(13-10)12(16)17-3/h4-6,8H,7H2,1-3H3,(H,13,14,15)
InChIKeyHHQIYNUDIQTMMS-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.85
Rot. Bonds4

About methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate

methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate (PubChem CID 130219539) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate
PubChem CID130219539
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)CC(C)C)n1
InChIInChI=1S/C12H16N2O3/c1-8(2)7-11(15)14-10-6-4-5-9(13-10)12(16)17-3/h4-6,8H,7H2,1-3H3,(H,13,14,15)
InChIKeyHHQIYNUDIQTMMS-UHFFFAOYSA-N
XLogP1.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Acetamidopicolinic acid
CID 824640
US11584748, Example 32
CID 146198245
Ethyl 6-Aminopyridine-2-carboxylate
CID 11959065
Methyl 6-aminopyridine-2-carboxylate
CID 13809143
6-(Prop-2-enamido)pyridine-2-carboxylic acid
CID 63642220
Propan-2-YL 6-[(6-{6-[(propan-2-yloxy)carbonyl]pyridine-2-amido}pyridin-2-YL)carbamoyl]pyridine-2-carboxylate
CID 4684432
Methyl 6-amino-4-chloropyridine-2-carboxylate
CID 9899037
Methyl 6-amino-3-bromopyridine-2-carboxylate
CID 10657127
Methyl 5,6-diamino-2-pyridinecarboxylate
CID 12097747
6-(((Tert-butoxy)carbonyl)amino)pyridine-2-carboxylic acid
CID 22726931
Ethyl 6-aminopyridine-2-carboxylate hydrochloride
CID 23437674
Methyl 6-amino-3-methylpyridine-2-carboxylate
CID 57582322

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate (CID 130219539) is methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate is COC(=O)c1cccc(NC(=O)CC(C)C)n1.
What is the InChIKey of methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate?
The InChIKey is HHQIYNUDIQTMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(2)7-11(15)14-10-6-4-5-9(13-10)12(16)17-3/h4-6,8H,7H2,1-3H3,(H,13,14,15).
What are the key properties of methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate?
methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-methylbutanoylamino)pyridine-2-carboxylate is sourced from PubChem (CID 130219539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).