benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate

C19H21NO5 — CID 123708890

IUPACbenzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)Cc1[nH]c(=O)ccc1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO5/c1-19(2,3)25-17(22)11-15-14(9-10-16(21)20-15)18(23)24-12-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyHZYMMWIIOBKOQL-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.62
Rot. Bonds5

About benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate

benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 123708890) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate
PubChem CID123708890
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namebenzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)Cc1[nH]c(=O)ccc1C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO5/c1-19(2,3)25-17(22)11-15-14(9-10-16(21)20-15)18(23)24-12-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,20,21)
InChIKeyHZYMMWIIOBKOQL-UHFFFAOYSA-N
XLogP2.62
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Berkeleyamide B
CID 24879337
2-Propenoic acid, 2-(acetylamino)-3-phenyl-, phenylmethyl ester, (2Z)-
CID 7284810
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CID 10519405
Benzyl 5-cyano-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 9993158
Benzyl 6-oxo-1,6-dihydropyridine-2-carboxylate
CID 44445204
[(R)-[5-(3-methylbutanoylcarbamoyl)-4-oxopyran-2-yl]-phenylmethyl] acetate
CID 162890550
[(R)-[5-[[(2S)-2-methylbutanoyl]carbamoyl]-4-oxopyran-2-yl]-phenylmethyl] acetate
CID 163106110
5-ethyl-3-[(2-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493538
5-ethyl-3-[(3-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493539
5-ethyl-3-[(4-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
CID 493540
Ethyl 3-(benzyloxy)-6-methyl-2-oxo-1,2-dihydropyridine-4-carboxylate
CID 12089327
6-methyl-N-[(2S)-2-methyl-3-phenylmethoxypropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976852

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate (CID 123708890) is benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate is CC(C)(C)OC(=O)Cc1[nH]c(=O)ccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is HZYMMWIIOBKOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-19(2,3)25-17(22)11-15-14(9-10-16(21)20-15)18(23)24-12-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,20,21).
What are the key properties of benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate?
benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 123708890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).