methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate

C14H22N2O2 — CID 113457844

IUPACmethyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)C(C)(C)C)nc1C
InChIInChI=1S/C14H22N2O2/c1-9-11(13(17)18-6)7-8-12(15-9)16-10(2)14(3,4)5/h7-8,10H,1-6H3,(H,15,16)
InChIKeyKCECNEBFLVBVMT-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.02
Rot. Bonds3

About methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate

methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate (PubChem CID 113457844) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
PubChem CID113457844
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)C(C)(C)C)nc1C
InChIInChI=1S/C14H22N2O2/c1-9-11(13(17)18-6)7-8-12(15-9)16-10(2)14(3,4)5/h7-8,10H,1-6H3,(H,15,16)
InChIKeyKCECNEBFLVBVMT-UHFFFAOYSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate (CID 113457844) is methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NC(C)C(C)(C)C)nc1C.
What is the InChIKey of methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate?
The InChIKey is KCECNEBFLVBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-11(13(17)18-6)7-8-12(15-9)16-10(2)14(3,4)5/h7-8,10H,1-6H3,(H,15,16).
What are the key properties of methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate?
methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 113457844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).