methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate

C15H16FN3O2 — CID 83119373

IUPACmethyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(C)c2ccc(F)cn2)c1
InChIInChI=1S/C15H16FN3O2/c1-10(14-7-6-11(16)9-17-14)18-12-4-3-5-13(8-12)19-15(20)21-2/h3-10,18H,1-2H3,(H,19,20)
InChIKeyHVPNBWSHRSDXNI-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.57
Rot. Bonds4

About methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate

methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate (PubChem CID 83119373) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate
PubChem CID83119373
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Namemethyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(C)c2ccc(F)cn2)c1
InChIInChI=1S/C15H16FN3O2/c1-10(14-7-6-11(16)9-17-14)18-12-4-3-5-13(8-12)19-15(20)21-2/h3-10,18H,1-2H3,(H,19,20)
InChIKeyHVPNBWSHRSDXNI-UHFFFAOYSA-N
XLogP3.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-nitroaniline
CID 83117361
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
CID 83118189
methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 60942225
3,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117743
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3,4-dimethylaniline
CID 83117825
methyl N-[3-(3-methoxybutan-2-ylamino)phenyl]carbamate
CID 113353843
tert-butyl N-[3-[1-(2-bromo-4-fluorophenyl)ethylamino]phenyl]carbamate
CID 114068440
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 83118930

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate (CID 83119373) is methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate is COC(=O)Nc1cccc(NC(C)c2ccc(F)cn2)c1.
What is the InChIKey of methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate?
The InChIKey is HVPNBWSHRSDXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10(14-7-6-11(16)9-17-14)18-12-4-3-5-13(8-12)19-15(20)21-2/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate?
methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate has a molecular weight of 289.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 83119373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).