methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate

C15H15FN2O2 — CID 156720982

IUPACmethyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N[C@H](C)c2ccccc2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-10(11-6-4-3-5-7-11)18-14-13(16)8-12(9-17-14)15(19)20-2/h3-10H,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyKGOTWNVZAOASQM-SNVBAGLBSA-N
MW274.30 g/mol
LogP3.18
Rot. Bonds4

About methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate

methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate (PubChem CID 156720982) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate
PubChem CID156720982
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namemethyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N[C@H](C)c2ccccc2)c(F)c1
InChIInChI=1S/C15H15FN2O2/c1-10(11-6-4-3-5-7-11)18-14-13(16)8-12(9-17-14)15(19)20-2/h3-10H,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyKGOTWNVZAOASQM-SNVBAGLBSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-phenylethylamino)benzoate
CID 43217232
methyl 5-fluoro-2-(1-phenylethylamino)benzoate
CID 43735544
methyl 2,6-difluoro-4-[[(1R)-1-phenylethyl]carbamoyl]benzoate
CID 151768789
methyl 3,4-dihydroxy-5-[[(1R)-1-phenylethyl]amino]benzoate
CID 141277770
methyl 5-[4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]pyridine-3-carboxylate
CID 164556584
methyl 3,5-dimethoxy-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzoate
CID 127024863
methyl 4-fluoro-3-(1-pyridin-3-ylethylamino)benzoate
CID 43684479
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
methyl 3-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzoate
CID 112859383
3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026825
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675669
methyl 6-[[(1S)-1-[2,3-dimethyl-4-oxo-7-(trifluoromethyl)quinazolin-6-yl]ethyl]amino]-5-fluoropyridine-3-carboxylate
CID 178097317

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate (CID 156720982) is methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate is COC(=O)c1cnc(N[C@H](C)c2ccccc2)c(F)c1.
What is the InChIKey of methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate?
The InChIKey is KGOTWNVZAOASQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(11-6-4-3-5-7-11)18-14-13(16)8-12(9-17-14)15(19)20-2/h3-10H,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate?
methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 156720982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).