ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate

C16H16F4N4O2 — CID 137420613

IUPACethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)nc1N
InChIInChI=1S/C16H16F4N4O2/c1-2-26-15(25)23-12-3-4-13(24-14(12)21)22-8-9-5-10(16(18,19)20)7-11(17)6-9/h3-7H,2,8H2,1H3,(H,23,25)(H3,21,22,24)
InChIKeyRIZAEBSHZNDYRM-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.00
Rot. Bonds5

About ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate (PubChem CID 137420613) has the molecular formula C16H16F4N4O2 and a molecular weight of 372.32 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
PubChem CID137420613
Molecular FormulaC16H16F4N4O2
Molecular Weight372.32 g/mol
Exact Mass372.12
IUPAC Nameethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)nc1N
InChIInChI=1S/C16H16F4N4O2/c1-2-26-15(25)23-12-3-4-13(24-14(12)21)22-8-9-5-10(16(18,19)20)7-11(17)6-9/h3-7H,2,8H2,1H3,(H,23,25)(H3,21,22,24)
InChIKeyRIZAEBSHZNDYRM-UHFFFAOYSA-N
XLogP4.00
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.00
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-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate (CID 137420613) is ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCc2cc(F)cc(C(F)(F)F)c2)nc1N.
What is the InChIKey of ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
The InChIKey is RIZAEBSHZNDYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N4O2/c1-2-26-15(25)23-12-3-4-13(24-14(12)21)22-8-9-5-10(16(18,19)20)7-11(17)6-9/h3-7H,2,8H2,1H3,(H,23,25)(H3,21,22,24).
What are the key properties of ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
ethyl N-[2-amino-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate has a molecular weight of 372.32 g/mol, XLogP of 4.00, 5 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-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 137420613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).