methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate

C20H19FN2O7 — CID 145022182

IUPACmethyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(=O)NCC2CC2)ccc1-c1cc(OC)c(O)cc1C(=O)OF
InChIInChI=1S/C20H19FN2O7/c1-28-16-8-12(13(7-15(16)24)19(26)30-21)11-5-6-14(23-17(11)20(27)29-2)18(25)22-9-10-3-4-10/h5-8,10,24H,3-4,9H2,1-2H3,(H,22,25)
InChIKeyQXCRPIGZDHKWHG-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.43
Rot. Bonds7

About methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate

methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate (PubChem CID 145022182) has the molecular formula C20H19FN2O7 and a molecular weight of 418.38 g/mol. Its IUPAC name is methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate
PubChem CID145022182
Molecular FormulaC20H19FN2O7
Molecular Weight418.38 g/mol
Exact Mass418.12
IUPAC Namemethyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(=O)NCC2CC2)ccc1-c1cc(OC)c(O)cc1C(=O)OF
InChIInChI=1S/C20H19FN2O7/c1-28-16-8-12(13(7-15(16)24)19(26)30-21)11-5-6-14(23-17(11)20(27)29-2)18(25)22-9-10-3-4-10/h5-8,10,24H,3-4,9H2,1-2H3,(H,22,25)
InChIKeyQXCRPIGZDHKWHG-UHFFFAOYSA-N
XLogP2.43
TPSA124.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate with MolForge

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Related Compounds

Avoralstat
CID 86566678
2-(6-((Cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5vinylbenzoic acid
CID 118878580
N-[2-[6-(4-fluoro-3-hydroxyphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061849
Methyl 2-amino-2-[2-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6-(4-fluorophenyl)pyridin-4-yl]propanoate
CID 117936822
6-(Cyclopropylmethylcarbamoyl)-3-[2-formyl-5-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]pyridine-2-carboxylic acid
CID 118878574
Methyl 6-(cyclopropylmethylcarbamoyl)-3-[2-formyl-5-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]pyridine-2-carboxylate
CID 118878596
Methyl 6-[cyclopropyl(methyl)carbamoyl]-3-[5-methoxy-2-(2-methoxyethoxymethoxycarbonyl)-4-(trifluoromethylsulfonyloxy)phenyl]pyridine-2-carboxylate
CID 118879081
Methyl 6-(cyclopropylmethylcarbamoyl)-3-[5-methoxy-2-(2-methoxyethoxymethoxycarbonyl)-4-(trifluoromethylsulfonyloxy)phenyl]pyridine-2-carboxylate
CID 118879083
N-[2-[6-(5-chloro-4-fluorocyclohexa-2,4-dien-1-yl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
CID 123197243
6-(Cyclopropylmethylcarbamoyl)-3-[5-methoxy-2-(2-methoxyethoxymethoxycarbonyl)-4-(trifluoromethylsulfonyloxy)phenyl]pyridine-2-carboxylic acid
CID 130423951
6-[Cyclopropyl(methyl)carbamoyl]-3-[5-methoxy-2-(2-methoxyethoxymethoxycarbonyl)-4-(trifluoromethylsulfonyloxy)phenyl]pyridine-2-carboxylic acid
CID 130423952
Ethane;methyl 6-(cyclopropylmethylcarbamoyl)-3-[2-fluorooxycarbonyl-5-methoxy-4-(trifluoromethylsulfonyloxy)phenyl]pyridine-2-carboxylate
CID 145022197

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate (CID 145022182) is methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate is COC(=O)c1nc(C(=O)NCC2CC2)ccc1-c1cc(OC)c(O)cc1C(=O)OF.
What is the InChIKey of methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate?
The InChIKey is QXCRPIGZDHKWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O7/c1-28-16-8-12(13(7-15(16)24)19(26)30-21)11-5-6-14(23-17(11)20(27)29-2)18(25)22-9-10-3-4-10/h5-8,10,24H,3-4,9H2,1-2H3,(H,22,25).
What are the key properties of methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate?
methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate has a molecular weight of 418.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopropylmethylcarbamoyl)-3-(2-fluorooxycarbonyl-4-hydroxy-5-methoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 145022182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).