5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide

C26H27F2N3O3 — CID 137290664

IUPAC5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide
SMILESCC1CCC(Nc2cc(-c3ccccc3OC(F)F)cc(-c3ccc(O)c(C(N)=O)c3)n2)CC1
InChIInChI=1S/C26H27F2N3O3/c1-15-6-9-18(10-7-15)30-24-14-17(19-4-2-3-5-23(19)34-26(27)28)13-21(31-24)16-8-11-22(32)20(12-16)25(29)33/h2-5,8,11-15,18,26,32H,6-7,9-10H2,1H3,(H2,29,33)(H,30,31)
InChIKeyIAYOLDFDIBPNAS-UHFFFAOYSA-N
MW467.52 g/mol
LogP5.81
Rot. Bonds7

About 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide

5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide (PubChem CID 137290664) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide
PubChem CID137290664
Molecular FormulaC26H27F2N3O3
Molecular Weight467.52 g/mol
Exact Mass467.20
IUPAC Name5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide
SMILESCC1CCC(Nc2cc(-c3ccccc3OC(F)F)cc(-c3ccc(O)c(C(N)=O)c3)n2)CC1
InChIInChI=1S/C26H27F2N3O3/c1-15-6-9-18(10-7-15)30-24-14-17(19-4-2-3-5-23(19)34-26(27)28)13-21(31-24)16-8-11-22(32)20(12-16)25(29)33/h2-5,8,11-15,18,26,32H,6-7,9-10H2,1H3,(H2,29,33)(H,30,31)
InChIKeyIAYOLDFDIBPNAS-UHFFFAOYSA-N
XLogP5.81
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide?
The IUPAC name of 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide (CID 137290664) is 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide is CC1CCC(Nc2cc(-c3ccccc3OC(F)F)cc(-c3ccc(O)c(C(N)=O)c3)n2)CC1.
What is the InChIKey of 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide?
The InChIKey is IAYOLDFDIBPNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3/c1-15-6-9-18(10-7-15)30-24-14-17(19-4-2-3-5-23(19)34-26(27)28)13-21(31-24)16-8-11-22(32)20(12-16)25(29)33/h2-5,8,11-15,18,26,32H,6-7,9-10H2,1H3,(H2,29,33)(H,30,31).
What are the key properties of 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide?
5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide has a molecular weight of 467.52 g/mol, XLogP of 5.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(difluoromethoxy)phenyl]-6-[(4-methylcyclohexyl)amino]-2-pyridinyl]-2-hydroxybenzamide is sourced from PubChem (CID 137290664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).