tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate

C19H24N2O5 — CID 75458328

IUPACtert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate
SMILESCc1nc(-c2ccco2)ccc1C(=O)NCC(C)(O)C(=O)OC(C)(C)C
InChIInChI=1S/C19H24N2O5/c1-12-13(8-9-14(21-12)15-7-6-10-25-15)16(22)20-11-19(5,24)17(23)26-18(2,3)4/h6-10,24H,11H2,1-5H3,(H,20,22)
InChIKeyAVEKNLUBMDYVMQ-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.47
Rot. Bonds5

About tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate

tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate (PubChem CID 75458328) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate
PubChem CID75458328
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Nametert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate
SMILESCc1nc(-c2ccco2)ccc1C(=O)NCC(C)(O)C(=O)OC(C)(C)C
InChIInChI=1S/C19H24N2O5/c1-12-13(8-9-14(21-12)15-7-6-10-25-15)16(22)20-11-19(5,24)17(23)26-18(2,3)4/h6-10,24H,11H2,1-5H3,(H,20,22)
InChIKeyAVEKNLUBMDYVMQ-UHFFFAOYSA-N
XLogP2.47
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(furan-2-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylpyridine-3-carboxamide
CID 111481175
6-(furan-2-yl)-2-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500830
6-(furan-2-yl)-2-methyl-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 119430450
N-(3-aminobutyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
CID 119495808
6-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-2-methylpyridine-3-carboxamide
CID 95286219
6-(furan-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]-2-methylpyridine-3-carboxamide
CID 110922170
2-[1-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 120521980
N-(2-fluoro-2-piperidin-4-ylethyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
CID 167767168
2-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119348060
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174598
N-(4,5-dichloro-3-pyridinyl)-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
CID 167842220
N-(2-amino-2-methylpropyl)-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119627957

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate?
The IUPAC name of tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate (CID 75458328) is tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate?
The canonical SMILES for tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate is Cc1nc(-c2ccco2)ccc1C(=O)NCC(C)(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate?
The InChIKey is AVEKNLUBMDYVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-13(8-9-14(21-12)15-7-6-10-25-15)16(22)20-11-19(5,24)17(23)26-18(2,3)4/h6-10,24H,11H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate?
tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate has a molecular weight of 360.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]amino]-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 75458328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).