ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate

C15H17FN4O2 — CID 66509094

IUPACethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(N(C)c2ccc(F)cc2)nc1N
InChIInChI=1S/C15H17FN4O2/c1-3-22-15(21)18-12-8-9-13(19-14(12)17)20(2)11-6-4-10(16)5-7-11/h4-9H,3H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyUDVJYLCFSXFTCW-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.14
Rot. Bonds4

About ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate

ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate (PubChem CID 66509094) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate
PubChem CID66509094
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Nameethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(N(C)c2ccc(F)cc2)nc1N
InChIInChI=1S/C15H17FN4O2/c1-3-22-15(21)18-12-8-9-13(19-14(12)17)20(2)11-6-4-10(16)5-7-11/h4-9H,3H2,1-2H3,(H2,17,19)(H,18,21)
InChIKeyUDVJYLCFSXFTCW-UHFFFAOYSA-N
XLogP3.14
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
CID 141275396
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[4-(4-fluoro-N-methylanilino)-2-nitrophenyl]carbamate
CID 90017833
ethyl N-[2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 110186737
N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride
CID 131698897
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
(2S,3S,4S,5R,6R)-6-[2-(ethoxycarbonylamino)-5-(4-fluoro-N-methylanilino)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 131699227
ethyl N-[4-[but-2-ynyl-[(4-fluorophenyl)methyl]amino]-2-(ethoxycarbonylamino)phenyl]carbamate
CID 71558372
ethyl N-[2-amino-6-[(2,4-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261304

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate (CID 66509094) is ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(N(C)c2ccc(F)cc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate?
The InChIKey is UDVJYLCFSXFTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-3-22-15(21)18-12-8-9-13(19-14(12)17)20(2)11-6-4-10(16)5-7-11/h4-9H,3H2,1-2H3,(H2,17,19)(H,18,21).
What are the key properties of ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate has a molecular weight of 304.33 g/mol, XLogP of 3.14, 4 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-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate is sourced from PubChem (CID 66509094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).