7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C28H26F3N3O4 — CID 58902406

IUPAC7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1cc(CO)cc(C(F)(F)F)c1)C1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1
InChIInChI=1S/C28H26F3N3O4/c29-28(30,31)21-9-16(15-35)10-22(13-21)33-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-32-25(14-24)34-26(36)18-2-3-18/h5-10,12-14,18-19,35H,1-4,11,15H2,(H,33,37)(H,32,34,36)
InChIKeyOKUDMYCSLZYYDF-UHFFFAOYSA-N
MW525.53 g/mol
LogP5.48
Rot. Bonds7

About 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 58902406) has the molecular formula C28H26F3N3O4 and a molecular weight of 525.53 g/mol. Its IUPAC name is 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID58902406
Molecular FormulaC28H26F3N3O4
Molecular Weight525.53 g/mol
Exact Mass525.19
IUPAC Name7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1cc(CO)cc(C(F)(F)F)c1)C1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1
InChIInChI=1S/C28H26F3N3O4/c29-28(30,31)21-9-16(15-35)10-22(13-21)33-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-32-25(14-24)34-26(36)18-2-3-18/h5-10,12-14,18-19,35H,1-4,11,15H2,(H,33,37)(H,32,34,36)
InChIKeyOKUDMYCSLZYYDF-UHFFFAOYSA-N
XLogP5.48
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.53
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 58902406) is 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(Nc1cc(CO)cc(C(F)(F)F)c1)C1CCc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2C1.
What is the InChIKey of 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is OKUDMYCSLZYYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N3O4/c29-28(30,31)21-9-16(15-35)10-22(13-21)33-27(37)19-4-1-17-5-6-23(12-20(17)11-19)38-24-7-8-32-25(14-24)34-26(36)18-2-3-18/h5-10,12-14,18-19,35H,1-4,11,15H2,(H,33,37)(H,32,34,36).
What are the key properties of 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 525.53 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 58902406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).