ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate

C16H19FN4O2 — CID 110186486

IUPACethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCc2ccc(F)cc2)nc1N
InChIInChI=1S/C16H19FN4O2/c1-2-23-16(22)20-13-7-8-14(21-15(13)18)19-10-9-11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3,(H,20,22)(H3,18,19,21)
InChIKeyLBPWBUIPPDGWOJ-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.03
Rot. Bonds6

About ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate (PubChem CID 110186486) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate
PubChem CID110186486
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Nameethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCc2ccc(F)cc2)nc1N
InChIInChI=1S/C16H19FN4O2/c1-2-23-16(22)20-13-7-8-14(21-15(13)18)19-10-9-11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3,(H,20,22)(H3,18,19,21)
InChIKeyLBPWBUIPPDGWOJ-UHFFFAOYSA-N
XLogP3.03
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate (CID 110186486) is ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCCc2ccc(F)cc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate?
The InChIKey is LBPWBUIPPDGWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-2-23-16(22)20-13-7-8-14(21-15(13)18)19-10-9-11-3-5-12(17)6-4-11/h3-8H,2,9-10H2,1H3,(H,20,22)(H3,18,19,21).
What are the key properties of ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate has a molecular weight of 318.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110186486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).