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

C26H19F3N2O2 — CID 155214167

IUPACN-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(NC1(c2ccccn2)CC1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C26H19F3N2O2/c27-26(28,29)19-8-10-20(11-9-19)33-22-5-3-4-17-16-18(7-12-21(17)22)24(32)31-25(13-14-25)23-6-1-2-15-30-23/h1-12,15-16H,13-14H2,(H,31,32)
InChIKeyCNLYTTUCUGIAKI-UHFFFAOYSA-N
MW448.44 g/mol
LogP6.47
Rot. Bonds5

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

N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214167) has the molecular formula C26H19F3N2O2 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214167
Molecular FormulaC26H19F3N2O2
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC NameN-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(NC1(c2ccccn2)CC1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C26H19F3N2O2/c27-26(28,29)19-8-10-20(11-9-19)33-22-5-3-4-17-16-18(7-12-21(17)22)24(32)31-25(13-14-25)23-6-1-2-15-30-23/h1-12,15-16H,13-14H2,(H,31,32)
InChIKeyCNLYTTUCUGIAKI-UHFFFAOYSA-N
XLogP6.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.44
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214167) is N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is O=C(NC1(c2ccccn2)CC1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is CNLYTTUCUGIAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2/c27-26(28,29)19-8-10-20(11-9-19)33-22-5-3-4-17-16-18(7-12-21(17)22)24(32)31-25(13-14-25)23-6-1-2-15-30-23/h1-12,15-16H,13-14H2,(H,31,32).
What are the key properties of N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 448.44 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylcyclopropyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).