methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate

C14H15N3O2 — CID 55036159

IUPACmethyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1ccc(N)nc1)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-19-14(18)13(10-5-3-2-4-6-10)17-11-7-8-12(15)16-9-11/h2-9,13,17H,1H3,(H2,15,16)
InChIKeyUHNOBGCGKVLFGR-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.99
Rot. Bonds4

About methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate

methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate (PubChem CID 55036159) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
PubChem CID55036159
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1ccc(N)nc1)c1ccccc1
InChIInChI=1S/C14H15N3O2/c1-19-14(18)13(10-5-3-2-4-6-10)17-11-7-8-12(15)16-9-11/h2-9,13,17H,1H3,(H2,15,16)
InChIKeyUHNOBGCGKVLFGR-UHFFFAOYSA-N
XLogP1.99
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(4-aminopyrimidin-2-yl)amino]-2-phenylacetate
CID 116795818
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
N-(6-amino-3-pyridinyl)-2-phenylpropanamide
CID 114028846
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119515097
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
methyl 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2-phenylacetate
CID 106997695
methyl 2-pyridin-4-yl-2-(pyridin-3-ylamino)acetate
CID 11230271
methyl 2-anilino-2-(3-methylphenyl)acetate
CID 54889768
methyl 2-[3-(methylcarbamoyl)anilino]-2-phenylacetate
CID 17393629

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate (CID 55036159) is methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate is COC(=O)C(Nc1ccc(N)nc1)c1ccccc1.
What is the InChIKey of methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate?
The InChIKey is UHNOBGCGKVLFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-14(18)13(10-5-3-2-4-6-10)17-11-7-8-12(15)16-9-11/h2-9,13,17H,1H3,(H2,15,16).
What are the key properties of methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate?
methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate has a molecular weight of 257.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate is sourced from PubChem (CID 55036159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).