N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide

C26H28FN3O2 — CID 137290692

IUPACN-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NC3CCC(C)CC3)nc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C26H28FN3O2/c1-16-3-8-22(9-4-16)29-26-14-19(18-5-10-21(11-6-18)28-17(2)31)13-24(30-26)23-15-20(27)7-12-25(23)32/h5-7,10-16,22,32H,3-4,8-9H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyWYMOREQBKJRPOK-UHFFFAOYSA-N
MW433.53 g/mol
LogP6.21
Rot. Bonds5

About N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide

N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide (PubChem CID 137290692) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide
PubChem CID137290692
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC NameN-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NC3CCC(C)CC3)nc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C26H28FN3O2/c1-16-3-8-22(9-4-16)29-26-14-19(18-5-10-21(11-6-18)28-17(2)31)13-24(30-26)23-15-20(27)7-12-25(23)32/h5-7,10-16,22,32H,3-4,8-9H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyWYMOREQBKJRPOK-UHFFFAOYSA-N
XLogP6.21
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 56.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide (CID 137290692) is N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(NC3CCC(C)CC3)nc(-c3cc(F)ccc3O)c2)cc1.
What is the InChIKey of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide?
The InChIKey is WYMOREQBKJRPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-16-3-8-22(9-4-16)29-26-14-19(18-5-10-21(11-6-18)28-17(2)31)13-24(30-26)23-15-20(27)7-12-25(23)32/h5-7,10-16,22,32H,3-4,8-9H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide?
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide has a molecular weight of 433.53 g/mol, XLogP of 6.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 137290692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).