ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate

C16H18FN3O2 — CID 113028219

IUPACethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(11-19-15)18-10-9-12-5-3-4-6-14(12)17/h3-8,11,18H,2,9-10H2,1H3,(H,19,20,21)
InChIKeyMGDCXVPTHLBHSE-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.44
Rot. Bonds6

About ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate

ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate (PubChem CID 113028219) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate
PubChem CID113028219
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Nameethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCc2ccccc2F)cn1
InChIInChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(11-19-15)18-10-9-12-5-3-4-6-14(12)17/h3-8,11,18H,2,9-10H2,1H3,(H,19,20,21)
InChIKeyMGDCXVPTHLBHSE-UHFFFAOYSA-N
XLogP3.44
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
2-ethyl-N-[6-[2-(2-fluorophenyl)ethylamino]-3-pyridinyl]butanamide
CID 113013197
2-(4-chlorophenyl)-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]acetamide
CID 113028195
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
1-cyclohexyl-3-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]urea
CID 113028217
ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
CID 113024981
ethyl N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]carbamate
CID 113034834
ethyl N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]carbamate
CID 113032674

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate?
The IUPAC name of ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate (CID 113028219) is ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCCc2ccccc2F)cn1.
What is the InChIKey of ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate?
The InChIKey is MGDCXVPTHLBHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(11-19-15)18-10-9-12-5-3-4-6-14(12)17/h3-8,11,18H,2,9-10H2,1H3,(H,19,20,21).
What are the key properties of ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate?
ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate has a molecular weight of 303.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]carbamate is sourced from PubChem (CID 113028219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).