N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide

C17H15F3N4O3 — CID 140663631

IUPACN-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(C#N)c(OC(F)(F)F)c2)nc1N
InChIInChI=1S/C17H15F3N4O3/c1-2-3-14(25)23-12-6-7-15(24-16(12)22)26-11-5-4-10(9-21)13(8-11)27-17(18,19)20/h4-8H,2-3H2,1H3,(H2,22,24)(H,23,25)
InChIKeyMWCNBZDUHJIUJZ-UHFFFAOYSA-N
MW380.33 g/mol
LogP3.96
Rot. Bonds6

About N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide

N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide (PubChem CID 140663631) has the molecular formula C17H15F3N4O3 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide
PubChem CID140663631
Molecular FormulaC17H15F3N4O3
Molecular Weight380.33 g/mol
Exact Mass380.11
IUPAC NameN-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2ccc(C#N)c(OC(F)(F)F)c2)nc1N
InChIInChI=1S/C17H15F3N4O3/c1-2-3-14(25)23-12-6-7-15(24-16(12)22)26-11-5-4-10(9-21)13(8-11)27-17(18,19)20/h4-8H,2-3H2,1H3,(H2,22,24)(H,23,25)
InChIKeyMWCNBZDUHJIUJZ-UHFFFAOYSA-N
XLogP3.96
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide?
The IUPAC name of N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide (CID 140663631) is N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide.
What is the SMILES notation for N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide?
The canonical SMILES for N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide is CCCC(=O)Nc1ccc(Oc2ccc(C#N)c(OC(F)(F)F)c2)nc1N.
What is the InChIKey of N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide?
The InChIKey is MWCNBZDUHJIUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3/c1-2-3-14(25)23-12-6-7-15(24-16(12)22)26-11-5-4-10(9-21)13(8-11)27-17(18,19)20/h4-8H,2-3H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide?
N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide has a molecular weight of 380.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-[4-cyano-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]butanamide is sourced from PubChem (CID 140663631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).