4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide

C20H19N3O2 — CID 122531722

IUPAC4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide
SMILESCCc1c(-c2ccc(C(N)=O)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H19N3O2/c1-2-16-17(12-3-5-14(6-4-12)20(22)25)11-23-19(21)18(16)13-7-9-15(24)10-8-13/h3-11,24H,2H2,1H3,(H2,21,23)(H2,22,25)
InChIKeyWKLDHPYHVIHEQC-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.36
Rot. Bonds4

About 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide

4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide (PubChem CID 122531722) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide
PubChem CID122531722
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide
SMILESCCc1c(-c2ccc(C(N)=O)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H19N3O2/c1-2-16-17(12-3-5-14(6-4-12)20(22)25)11-23-19(21)18(16)13-7-9-15(24)10-8-13/h3-11,24H,2H2,1H3,(H2,21,23)(H2,22,25)
InChIKeyWKLDHPYHVIHEQC-UHFFFAOYSA-N
XLogP3.36
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide (CID 122531722) is 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide is CCc1c(-c2ccc(C(N)=O)cc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide?
The InChIKey is WKLDHPYHVIHEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-16-17(12-3-5-14(6-4-12)20(22)25)11-23-19(21)18(16)13-7-9-15(24)10-8-13/h3-11,24H,2H2,1H3,(H2,21,23)(H2,22,25).
What are the key properties of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide?
4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 122531722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).