methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate

C21H20FN3O2 — CID 133460116

IUPACmethyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2cc(C)nc3ccc(F)cc23)nc1C1CC1
InChIInChI=1S/C21H20FN3O2/c1-12-9-19(17-10-14(22)5-8-18(17)24-12)23-11-15-6-7-16(21(26)27-2)20(25-15)13-3-4-13/h5-10,13H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyFZOJKAUIJIWQNT-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.35
Rot. Bonds5

About methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate

methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate (PubChem CID 133460116) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate
PubChem CID133460116
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Namemethyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNc2cc(C)nc3ccc(F)cc23)nc1C1CC1
InChIInChI=1S/C21H20FN3O2/c1-12-9-19(17-10-14(22)5-8-18(17)24-12)23-11-15-6-7-16(21(26)27-2)20(25-15)13-3-4-13/h5-10,13H,3-4,11H2,1-2H3,(H,23,24)
InChIKeyFZOJKAUIJIWQNT-UHFFFAOYSA-N
XLogP4.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460213
methyl 6-[(2-cyano-3-fluoroanilino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460298
methyl 2-cyclopropyl-6-[[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]pyridine-3-carboxylate
CID 133460161
methyl 6-[(4-chloro-2-nitroanilino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460127
methyl 2-cyclopropyl-6-[[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]pyridine-3-carboxylate
CID 133460200
methyl 2-cyclopropyl-6-[[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]pyridine-3-carboxylate
CID 133460162
methyl 2-cyclopropyl-6-[[(8-methylquinazolin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460115
methyl 2-cyclopropyl-6-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-3-carboxylate
CID 133460299
methyl 6-[[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460208
methyl 6-[(cyclohexanecarbonylamino)methyl]-2-cyclopropylpyridine-3-carboxylate
CID 75475369
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021
methyl 6-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 133460264

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate (CID 133460116) is methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNc2cc(C)nc3ccc(F)cc23)nc1C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is FZOJKAUIJIWQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-12-9-19(17-10-14(22)5-8-18(17)24-12)23-11-15-6-7-16(21(26)27-2)20(25-15)13-3-4-13/h5-10,13H,3-4,11H2,1-2H3,(H,23,24).
What are the key properties of methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate?
methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 365.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-6-[[(6-fluoro-2-methylquinolin-4-yl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 133460116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).