ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate

C16H17F3N4O3 — CID 137420914

IUPACethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(OC(F)(F)F)cc2)nc1N
InChIInChI=1S/C16H17F3N4O3/c1-2-25-15(24)22-12-7-8-13(23-14(12)20)21-9-10-3-5-11(6-4-10)26-16(17,18)19/h3-8H,2,9H2,1H3,(H,22,24)(H3,20,21,23)
InChIKeyAADDBCKTCWTRAK-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.74
Rot. Bonds6

About ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate (PubChem CID 137420914) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate
PubChem CID137420914
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Nameethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2ccc(OC(F)(F)F)cc2)nc1N
InChIInChI=1S/C16H17F3N4O3/c1-2-25-15(24)22-12-7-8-13(23-14(12)20)21-9-10-3-5-11(6-4-10)26-16(17,18)19/h3-8H,2,9H2,1H3,(H,22,24)(H3,20,21,23)
InChIKeyAADDBCKTCWTRAK-UHFFFAOYSA-N
XLogP3.74
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate (CID 137420914) is ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2ccc(OC(F)(F)F)cc2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate?
The InChIKey is AADDBCKTCWTRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c1-2-25-15(24)22-12-7-8-13(23-14(12)20)21-9-10-3-5-11(6-4-10)26-16(17,18)19/h3-8H,2,9H2,1H3,(H,22,24)(H3,20,21,23).
What are the key properties of ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate has a molecular weight of 370.33 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 137420914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).