methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate

C19H17N5O6 — CID 15239990

IUPACmethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccccn2)ccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C19H17N5O6/c1-27-14-10-15(28-2)24-19(23-14)30-12-7-8-13(21-16(12)18(26)29-3)22-17(25)11-6-4-5-9-20-11/h4-10H,1-3H3,(H,21,22,25)
InChIKeyVLTKYOIKHHYBAF-UHFFFAOYSA-N
MW411.37 g/mol
LogP2.12
Rot. Bonds7

About methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate

methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate (PubChem CID 15239990) has the molecular formula C19H17N5O6 and a molecular weight of 411.37 g/mol. Its IUPAC name is methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate
PubChem CID15239990
Molecular FormulaC19H17N5O6
Molecular Weight411.37 g/mol
Exact Mass411.12
IUPAC Namemethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccccn2)ccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C19H17N5O6/c1-27-14-10-15(28-2)24-19(23-14)30-12-7-8-13(21-16(12)18(26)29-3)22-17(25)11-6-4-5-9-20-11/h4-10H,1-3H3,(H,21,22,25)
InChIKeyVLTKYOIKHHYBAF-UHFFFAOYSA-N
XLogP2.12
TPSA134.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

ethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425834
2-chloroethyl 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14425856
methyl 5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate
CID 1214892
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
4,6-dimethoxy-2-pyridin-2-yloxypyrimidine
CID 91802250
methyl (2R)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]propanoate
CID 20788772
N'-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzohydrazide
CID 4152975
(nonan-5-ylideneamino) 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carboxylate
CID 14648785
N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846338
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5238816

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate (CID 15239990) is methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate is COC(=O)c1nc(NC(=O)c2ccccn2)ccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate?
The InChIKey is VLTKYOIKHHYBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O6/c1-27-14-10-15(28-2)24-19(23-14)30-12-7-8-13(21-16(12)18(26)29-3)22-17(25)11-6-4-5-9-20-11/h4-10H,1-3H3,(H,21,22,25).
What are the key properties of methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate?
methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate has a molecular weight of 411.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(pyridine-2-carbonylamino)pyridine-2-carboxylate is sourced from PubChem (CID 15239990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).