methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate

C15H15FN2O2 — CID 134833387

IUPACmethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(F)cc2)c(N)nc1C
InChIInChI=1S/C15H15FN2O2/c1-9-13(15(19)20-2)8-11(14(17)18-9)7-10-3-5-12(16)6-4-10/h3-6,8H,7H2,1-2H3,(H2,17,18)
InChIKeyXFNKVMFBFBWKNM-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.49
Rot. Bonds3

About methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate

methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate (PubChem CID 134833387) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
PubChem CID134833387
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namemethyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(F)cc2)c(N)nc1C
InChIInChI=1S/C15H15FN2O2/c1-9-13(15(19)20-2)8-11(14(17)18-9)7-10-3-5-12(16)6-4-10/h3-6,8H,7H2,1-2H3,(H2,17,18)
InChIKeyXFNKVMFBFBWKNM-UHFFFAOYSA-N
XLogP2.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-5,6,7,8-tetrahydro-3-quinolinecarboxylate
CID 3808295
Ethyl 6-amino-5-cyano-2-methylpyridine-3-carboxylate
CID 663948
Ethyl 2-aminoquinoline-3-carboxylate
CID 283477
Methyl 6-(benzylamino)-5-cyano-2-methylpyridine-3-carboxylate
CID 1471725
2-[3-(2-Methyl-allyl)-thioureido]-5,6,7,8-tetrahydro-quinoline-3-carboxylic acid ethyl ester
CID 3751938
ethyl 2-amino-7-ethyl-7-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
CID 3754294
Methyl 6-(4-fluorophenyl)-2-methylnicotinate
CID 822971
Methyl 2-({[(4,6-dimethyl-2-pyridinyl)amino]carbonyl}amino)benzoate
CID 971446
Ethyl 6-(butylamino)-5-cyano-2-phenylnicotinate
CID 3393240
Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate
CID 3644194
Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate
CID 3841301
Ethyl 2-(ethylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 4302834

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate (CID 134833387) is methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate is COC(=O)c1cc(Cc2ccc(F)cc2)c(N)nc1C.
What is the InChIKey of methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate?
The InChIKey is XFNKVMFBFBWKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-13(15(19)20-2)8-11(14(17)18-9)7-10-3-5-12(16)6-4-10/h3-6,8H,7H2,1-2H3,(H2,17,18).
What are the key properties of methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate?
methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[(4-fluorophenyl)methyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 134833387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).