methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate

C22H19FN2O3 — CID 68763008

IUPACmethyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1ccc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C22H19FN2O3/c1-27-22(26)18-9-10-24-13-21(18)25-20-8-5-15(12-19(20)23)14-3-2-4-17(11-14)28-16-6-7-16/h2-5,8-13,16,25H,6-7H2,1H3
InChIKeyBLDVVLGWZJBWEU-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.96
Rot. Bonds6

About methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate

methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate (PubChem CID 68763008) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate
PubChem CID68763008
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Namemethyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccncc1Nc1ccc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C22H19FN2O3/c1-27-22(26)18-9-10-24-13-21(18)25-20-8-5-15(12-19(20)23)14-3-2-4-17(11-14)28-16-6-7-16/h2-5,8-13,16,25H,6-7H2,1H3
InChIKeyBLDVVLGWZJBWEU-UHFFFAOYSA-N
XLogP4.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

lithium 3-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-4-carboxylate
CID 24987185
methyl 3-[4-(2-chlorophenyl)-2-fluoroanilino]pyridine-4-carboxylate
CID 68762552
5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24988290
methyl 3-anilinopyridine-4-carboxylate
CID 14221935
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
4-(3-cyclopentyloxyphenyl)-2,6-difluoroaniline
CID 66997224
methyl 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134635067
methyl 3-(2-nitroanilino)pyridine-4-carboxylate
CID 170913350
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
methyl 3-[[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate
CID 155313811
(2-benzoylhydrazinyl) 3-(2-fluoro-4-iodoanilino)pyridine-4-carboxylate
CID 67251550
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1,3-dicarboxylic acid
CID 22042535

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate (CID 68763008) is methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate is COC(=O)c1ccncc1Nc1ccc(-c2cccc(OC3CC3)c2)cc1F.
What is the InChIKey of methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate?
The InChIKey is BLDVVLGWZJBWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-27-22(26)18-9-10-24-13-21(18)25-20-8-5-15(12-19(20)23)14-3-2-4-17(11-14)28-16-6-7-16/h2-5,8-13,16,25H,6-7H2,1H3.
What are the key properties of methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate?
methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate has a molecular weight of 378.40 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(3-cyclopropyloxyphenyl)-2-fluoroanilino]pyridine-4-carboxylate is sourced from PubChem (CID 68763008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).