methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate

C16H16N2O3 — CID 106753818

IUPACmethyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1ccnc(C)c1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-10-13(8-9-17-11)15(19)18-14(16(20)21-2)12-6-4-3-5-7-12/h3-10,14H,1-2H3,(H,18,19)
InChIKeyJLWIDOLYQYKUEC-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.03
Rot. Bonds4

About methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate

methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate (PubChem CID 106753818) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
PubChem CID106753818
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1ccnc(C)c1)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-10-13(8-9-17-11)15(19)18-14(16(20)21-2)12-6-4-3-5-7-12/h3-10,14H,1-2H3,(H,18,19)
InChIKeyJLWIDOLYQYKUEC-UHFFFAOYSA-N
XLogP2.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 106752480
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
methyl 2-[(3-iodobenzoyl)amino]-2-phenylacetate
CID 62109863
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
methyl 2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetate
CID 607125
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
(2S)-2-[(2-chloropyridine-4-carbonyl)amino]-2-phenylacetic acid
CID 103804574
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
CID 71580592

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate (CID 106753818) is methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)c1ccnc(C)c1)c1ccccc1.
What is the InChIKey of methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate?
The InChIKey is JLWIDOLYQYKUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-10-13(8-9-17-11)15(19)18-14(16(20)21-2)12-6-4-3-5-7-12/h3-10,14H,1-2H3,(H,18,19).
What are the key properties of methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate?
methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate has a molecular weight of 284.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpyridine-4-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 106753818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).