N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C25H19F3N2O2 — CID 155214253

IUPACN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1
InChIInChI=1S/C25H19F3N2O2/c1-16(22-6-2-3-14-29-22)30-24(31)18-8-13-21-17(15-18)5-4-7-23(21)32-20-11-9-19(10-12-20)25(26,27)28/h2-16H,1H3,(H,30,31)/t16-/m0/s1
InChIKeySQXMTANFZTXZCY-INIZCTEOSA-N
MW436.43 g/mol
LogP6.54
Rot. Bonds5

About N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214253) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214253
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1
InChIInChI=1S/C25H19F3N2O2/c1-16(22-6-2-3-14-29-22)30-24(31)18-8-13-21-17(15-18)5-4-7-23(21)32-20-11-9-19(10-12-20)25(26,27)28/h2-16H,1H3,(H,30,31)/t16-/m0/s1
InChIKeySQXMTANFZTXZCY-INIZCTEOSA-N
XLogP6.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214253) is N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is SQXMTANFZTXZCY-INIZCTEOSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-16(22-6-2-3-14-29-22)30-24(31)18-8-13-21-17(15-18)5-4-7-23(21)32-20-11-9-19(10-12-20)25(26,27)28/h2-16H,1H3,(H,30,31)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).