methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate

C19H16N4O3 — CID 1477177

IUPACmethyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C
InChIInChI=1S/C19H16N4O3/c1-12-16(19(24)25-2)8-14(10-20)18(22-12)21-11-15-9-17(23-26-15)13-6-4-3-5-7-13/h3-9H,11H2,1-2H3,(H,21,22)
InChIKeyHLUQDXYFLVUQHI-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.32
Rot. Bonds5

About methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate

methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate (PubChem CID 1477177) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate
PubChem CID1477177
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Namemethyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C
InChIInChI=1S/C19H16N4O3/c1-12-16(19(24)25-2)8-14(10-20)18(22-12)21-11-15-9-17(23-26-15)13-6-4-3-5-7-13/h3-9H,11H2,1-2H3,(H,21,22)
InChIKeyHLUQDXYFLVUQHI-UHFFFAOYSA-N
XLogP3.32
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate (CID 1477177) is methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate is COC(=O)c1cc(C#N)c(NCc2cc(-c3ccccc3)no2)nc1C.
What is the InChIKey of methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate?
The InChIKey is HLUQDXYFLVUQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-16(19(24)25-2)8-14(10-20)18(22-12)21-11-15-9-17(23-26-15)13-6-4-3-5-7-13/h3-9H,11H2,1-2H3,(H,21,22).
What are the key properties of methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate?
methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyano-2-methyl-6-[(3-phenyl-1,2-oxazol-5-yl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 1477177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).