methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate

C15H17N3O2 — CID 67021599

IUPACmethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2ncccc2N)cc1C
InChIInChI=1S/C15H17N3O2/c1-10-8-12(6-5-11(10)9-14(19)20-2)18-15-13(16)4-3-7-17-15/h3-8H,9,16H2,1-2H3,(H,17,18)
InChIKeyYXDSNCBQHSSCBM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.43
Rot. Bonds4

About methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate

methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate (PubChem CID 67021599) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate
PubChem CID67021599
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Namemethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2ncccc2N)cc1C
InChIInChI=1S/C15H17N3O2/c1-10-8-12(6-5-11(10)9-14(19)20-2)18-15-13(16)4-3-7-17-15/h3-8H,9,16H2,1-2H3,(H,17,18)
InChIKeyYXDSNCBQHSSCBM-UHFFFAOYSA-N
XLogP2.43
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570
ethyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-chlorophenyl]acetate
CID 67021554
tert-butyl 2-[4-[(3-amino-2-pyridinyl)amino]phenyl]acetate
CID 159451507
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine
CID 164754587
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
N-[3-[(E)-2-[3-[(3-amino-2-pyridinyl)amino]phenyl]ethenyl]-2-pyridinyl]acetamide
CID 23298087
2-N-[3-(dimethylamino)phenyl]pyridine-2,3-diamine
CID 115376029
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
ethyl 4-[(3-amino-2-pyridinyl)amino]benzoate;ethyl 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 160687820
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate?
The IUPAC name of methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate (CID 67021599) is methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate?
The canonical SMILES for methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate is COC(=O)Cc1ccc(Nc2ncccc2N)cc1C.
What is the InChIKey of methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate?
The InChIKey is YXDSNCBQHSSCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-12(6-5-11(10)9-14(19)20-2)18-15-13(16)4-3-7-17-15/h3-8H,9,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate?
methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate has a molecular weight of 271.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-amino-2-pyridinyl)amino]-2-methylphenyl]acetate is sourced from PubChem (CID 67021599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).