ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate

C17H21FN4O2 — CID 19696735

IUPACethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)c1ccc(NCc2cccc(F)c2)nc1N
InChIInChI=1S/C17H21FN4O2/c1-3-22(17(23)24-4-2)14-8-9-15(21-16(14)19)20-11-12-6-5-7-13(18)10-12/h5-10H,3-4,11H2,1-2H3,(H3,19,20,21)
InChIKeyVVTSFWAGYFVBSP-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.40
Rot. Bonds6

About ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate

ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate (PubChem CID 19696735) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate
PubChem CID19696735
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Nameethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)c1ccc(NCc2cccc(F)c2)nc1N
InChIInChI=1S/C17H21FN4O2/c1-3-22(17(23)24-4-2)14-8-9-15(21-16(14)19)20-11-12-6-5-7-13(18)10-12/h5-10H,3-4,11H2,1-2H3,(H3,19,20,21)
InChIKeyVVTSFWAGYFVBSP-UHFFFAOYSA-N
XLogP3.40
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate?
The IUPAC name of ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate (CID 19696735) is ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate?
The canonical SMILES for ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate is CCOC(=O)N(CC)c1ccc(NCc2cccc(F)c2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate?
The InChIKey is VVTSFWAGYFVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-3-22(17(23)24-4-2)14-8-9-15(21-16(14)19)20-11-12-6-5-7-13(18)10-12/h5-10H,3-4,11H2,1-2H3,(H3,19,20,21).
What are the key properties of ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate?
ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate has a molecular weight of 332.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-N-ethylcarbamate is sourced from PubChem (CID 19696735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).