benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid

C22H22N2O5 — CID 20537523

IUPACbenzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(-c2ccc(C)cc2)c1.NC(=O)OCc1ccccc1
InChIInChI=1S/C14H13NO3.C8H9NO2/c1-9-3-5-10(6-4-9)12-7-11(18-2)8-13(15-12)14(16)17;9-8(10)11-6-7-4-2-1-3-5-7/h3-8H,1-2H3,(H,16,17);1-5H,6H2,(H2,9,10)
InChIKeyBSWFVUYHCVGFKH-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.05
Rot. Bonds5

About benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid

benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 20537523) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Namebenzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid
PubChem CID20537523
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Namebenzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc(-c2ccc(C)cc2)c1.NC(=O)OCc1ccccc1
InChIInChI=1S/C14H13NO3.C8H9NO2/c1-9-3-5-10(6-4-9)12-7-11(18-2)8-13(15-12)14(16)17;9-8(10)11-6-7-4-2-1-3-5-7/h3-8H,1-2H3,(H,16,17);1-5H,6H2,(H2,9,10)
InChIKeyBSWFVUYHCVGFKH-UHFFFAOYSA-N
XLogP4.05
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethoxyphenyl)-4-methoxypyridine-2-carboxylic acid
CID 125488706
benzyl carbamate;heptahydrochloride
CID 141351835
4-methoxy-6-(3,4,5-trimethoxyphenyl)pyridine-2-carboxylic acid
CID 12785004
methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide
CID 20537542
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
(4-phenylphenyl)methyl carbamate
CID 123751479
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
6-(4-aminophenyl)-4-methylpyridine-2-carboxylic acid
CID 125488527
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
6-phenylpyridine-2,4-dicarboxylic acid
CID 10633973
benzyl (4-methylphenyl) carbonate
CID 118690287
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid (CID 20537523) is benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid is COc1cc(C(=O)O)nc(-c2ccc(C)cc2)c1.NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is BSWFVUYHCVGFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3.C8H9NO2/c1-9-3-5-10(6-4-9)12-7-11(18-2)8-13(15-12)14(16)17;9-8(10)11-6-7-4-2-1-3-5-7/h3-8H,1-2H3,(H,16,17);1-5H,6H2,(H2,9,10).
What are the key properties of benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid?
benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 394.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;4-methoxy-6-(4-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 20537523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).