benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate

C16H16N2O3 — CID 32677770

IUPACbenzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCc2ccccc2)n1
InChIInChI=1S/C16H16N2O3/c1-12-6-5-9-14(18-12)16(20)17-10-15(19)21-11-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,17,20)
InChIKeyVNKHUGYIXFADKB-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.86
Rot. Bonds5

About benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate

benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate (PubChem CID 32677770) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
PubChem CID32677770
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namebenzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCc2ccccc2)n1
InChIInChI=1S/C16H16N2O3/c1-12-6-5-9-14(18-12)16(20)17-10-15(19)21-11-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,17,20)
InChIKeyVNKHUGYIXFADKB-UHFFFAOYSA-N
XLogP1.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate
CID 26262948
benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 60550544
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053
benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
CID 16579660
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate (CID 32677770) is benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate?
The InChIKey is VNKHUGYIXFADKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12-6-5-9-14(18-12)16(20)17-10-15(19)21-11-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,17,20).
What are the key properties of benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate?
benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate has a molecular weight of 284.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 32677770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).