[3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

C24H26FN3O2 — CID 142680275

IUPAC[3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCCN(CC)Cc1ccc(-c2cc(C(=O)c3ccc(C)cc3F)ccc2O)nc1N
InChIInChI=1S/C24H26FN3O2/c1-4-28(5-2)14-17-7-10-21(27-24(17)26)19-13-16(8-11-22(19)29)23(30)18-9-6-15(3)12-20(18)25/h6-13,29H,4-5,14H2,1-3H3,(H2,26,27)
InChIKeyCMSJBKUHKAJQDR-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.56
Rot. Bonds7

About [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone

[3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (PubChem CID 142680275) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
PubChem CID142680275
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name[3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
SMILESCCN(CC)Cc1ccc(-c2cc(C(=O)c3ccc(C)cc3F)ccc2O)nc1N
InChIInChI=1S/C24H26FN3O2/c1-4-28(5-2)14-17-7-10-21(27-24(17)26)19-13-16(8-11-22(19)29)23(30)18-9-6-15(3)12-20(18)25/h6-13,29H,4-5,14H2,1-3H3,(H2,26,27)
InChIKeyCMSJBKUHKAJQDR-UHFFFAOYSA-N
XLogP4.56
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone (CID 142680275) is [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is CCN(CC)Cc1ccc(-c2cc(C(=O)c3ccc(C)cc3F)ccc2O)nc1N.
What is the InChIKey of [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is CMSJBKUHKAJQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-4-28(5-2)14-17-7-10-21(27-24(17)26)19-13-16(8-11-22(19)29)23(30)18-9-6-15(3)12-20(18)25/h6-13,29H,4-5,14H2,1-3H3,(H2,26,27).
What are the key properties of [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone?
[3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 407.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-amino-5-(diethylaminomethyl)-2-pyridinyl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 142680275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).