methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate

C15H15N3O3 — CID 104742175

IUPACmethyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1ncccc1N)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)12(10-6-3-2-4-7-10)18-14(19)13-11(16)8-5-9-17-13/h2-9,12H,16H2,1H3,(H,18,19)
InChIKeyFKJPLTOZYVZKMQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.31
Rot. Bonds4

About methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate

methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate (PubChem CID 104742175) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
PubChem CID104742175
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1ncccc1N)c1ccccc1
InChIInChI=1S/C15H15N3O3/c1-21-15(20)12(10-6-3-2-4-7-10)18-14(19)13-11(16)8-5-9-17-13/h2-9,12H,16H2,1H3,(H,18,19)
InChIKeyFKJPLTOZYVZKMQ-UHFFFAOYSA-N
XLogP1.31
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
3-amino-N-(2-phenylpropyl)pyridine-2-carboxamide
CID 104742039
methyl (2S)-2-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]-2-phenylacetate
CID 94817951
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315066
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate
CID 63102517

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate (CID 104742175) is methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)c1ncccc1N)c1ccccc1.
What is the InChIKey of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate?
The InChIKey is FKJPLTOZYVZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-15(20)12(10-6-3-2-4-7-10)18-14(19)13-11(16)8-5-9-17-13/h2-9,12H,16H2,1H3,(H,18,19).
What are the key properties of methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate?
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate has a molecular weight of 285.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 104742175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).