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

C22H21FN2O6 — CID 145022185

IUPACmethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate
SMILESC=Cc1cc(C(=O)OF)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC)cc1OC
InChIInChI=1S/C22H21FN2O6/c1-4-13-9-16(21(27)31-23)15(10-18(13)29-2)14-7-8-17(25-19(14)22(28)30-3)20(26)24-11-12-5-6-12/h4,7-10,12H,1,5-6,11H2,2-3H3,(H,24,26)
InChIKeyCVNIFTRXNVFUQU-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.37
Rot. Bonds8

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

methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate (PubChem CID 145022185) has the molecular formula C22H21FN2O6 and a molecular weight of 428.42 g/mol. Its IUPAC name is methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate
PubChem CID145022185
Molecular FormulaC22H21FN2O6
Molecular Weight428.42 g/mol
Exact Mass428.14
IUPAC Namemethyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate
SMILESC=Cc1cc(C(=O)OF)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC)cc1OC
InChIInChI=1S/C22H21FN2O6/c1-4-13-9-16(21(27)31-23)15(10-18(13)29-2)14-7-8-17(25-19(14)22(28)30-3)20(26)24-11-12-5-6-12/h4,7-10,12H,1,5-6,11H2,2-3H3,(H,24,26)
InChIKeyCVNIFTRXNVFUQU-UHFFFAOYSA-N
XLogP3.37
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Avoralstat
CID 86566678
(3S)-3-[[6-(2,3-dimethylphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 60141377
(3S)-3-[[6-(5-fluoro-2-methylphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 60141512
(3S)-3-[[5-methoxy-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 60141794
(3S)-3-[[5-methoxy-6-(4-methylphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 60141938
(3S)-3-[[5-methoxy-6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 60141939
(3S)-3-[[6-(2,3-dimethylphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 60142079
(3S)-3-[[6-(4-fluoro-2-methoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 60142081
(3S)-3-[(5-methoxy-6-phenylpyridine-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 60143141
(3S)-3-[[6-(4-fluoro-2-methylphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 68294534
(3S)-3-[[6-(3-fluoro-2-methylphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 68294869
(3S)-3-[[6-(2-fluoro-5-methylphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 68295032

Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate (CID 145022185) is methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate is C=Cc1cc(C(=O)OF)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)OC)cc1OC.
What is the InChIKey of methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate?
The InChIKey is CVNIFTRXNVFUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O6/c1-4-13-9-16(21(27)31-23)15(10-18(13)29-2)14-7-8-17(25-19(14)22(28)30-3)20(26)24-11-12-5-6-12/h4,7-10,12H,1,5-6,11H2,2-3H3,(H,24,26).
What are the key properties of methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate?
methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate has a molecular weight of 428.42 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclopropylmethylcarbamoyl)-3-(4-ethenyl-2-fluorooxycarbonyl-5-methoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 145022185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).