methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate

C15H13N3O3 — CID 45104903

IUPACmethyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc(Oc2ccccc2)c(C#N)c1N
InChIInChI=1S/C15H13N3O3/c1-9-12(15(19)20-2)13(17)11(8-16)14(18-9)21-10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,17,18)
InChIKeyUQQKPLYZAYXLEL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.42
Rot. Bonds3

About methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate

methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate (PubChem CID 45104903) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
PubChem CID45104903
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Namemethyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(C)nc(Oc2ccccc2)c(C#N)c1N
InChIInChI=1S/C15H13N3O3/c1-9-12(15(19)20-2)13(17)11(8-16)14(18-9)21-10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,17,18)
InChIKeyUQQKPLYZAYXLEL-UHFFFAOYSA-N
XLogP2.42
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-amino-6-benzylsulfanyl-5-cyano-2-methylpyridine-3-carboxylate
CID 44623229
5-acetyl-4-amino-6-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 72696488
methyl 5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate
CID 1471661
ethyl 4-amino-5-cyano-2-methyl-6-(2-nitrophenoxy)pyridine-3-carboxylate
CID 45104906
methyl 5,6-diamino-4-cyano-2-methylpyridine-3-carboxylate
CID 20703479
methyl 4-amino-2-(3-chlorophenyl)-5-cyano-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 72696742
ethyl 4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzoate
CID 70924888
ethyl 4-amino-5-cyano-6-[(4-methoxybenzoyl)amino]-2-methylpyridine-3-carboxylate
CID 174550540
dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232495
methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
CID 20703481
methyl 4-amino-2,5-dimethylquinoline-3-carboxylate
CID 18326317
4-[(4-amino-5-cyano-6-phenoxy-2-pyridinyl)amino]benzohydrazide
CID 143926935

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate (CID 45104903) is methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate is COC(=O)c1c(C)nc(Oc2ccccc2)c(C#N)c1N.
What is the InChIKey of methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate?
The InChIKey is UQQKPLYZAYXLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-9-12(15(19)20-2)13(17)11(8-16)14(18-9)21-10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,17,18).
What are the key properties of methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate?
methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-cyano-2-methyl-6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 45104903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).