methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate

C16H20N4O3 — CID 118969788

IUPACmethyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn(C2CCOCC2)nc1C
InChIInChI=1S/C16H20N4O3/c1-11-15(10-20(19-11)12-4-7-23-8-5-12)18-14-9-17-6-3-13(14)16(21)22-2/h3,6,9-10,12,18H,4-5,7-8H2,1-2H3
InChIKeyWRWYDUSFLSLKJR-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.47
Rot. Bonds4

About methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate

methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate (PubChem CID 118969788) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
PubChem CID118969788
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Namemethyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1cn(C2CCOCC2)nc1C
InChIInChI=1S/C16H20N4O3/c1-11-15(10-20(19-11)12-4-7-23-8-5-12)18-14-9-17-6-3-13(14)16(21)22-2/h3,6,9-10,12,18H,4-5,7-8H2,1-2H3
InChIKeyWRWYDUSFLSLKJR-UHFFFAOYSA-N
XLogP2.47
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate (CID 118969788) is methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1cn(C2CCOCC2)nc1C.
What is the InChIKey of methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
The InChIKey is WRWYDUSFLSLKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-15(10-20(19-11)12-4-7-23-8-5-12)18-14-9-17-6-3-13(14)16(21)22-2/h3,6,9-10,12,18H,4-5,7-8H2,1-2H3.
What are the key properties of methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate?
methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 118969788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).